USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 0.22 K(o=-0.12,f=-4.2!) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.77 K(o=-0.12,f=-4!) USER MOD Set 1.3: A 79 SER OG : rot -61:sc= 1.43 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0769 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0053 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 52:sc= 0.904 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2 X(o=-2,f=-1.9) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 150:sc= -1.23 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -4.37! USER MOD Single : A 47 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -20:sc= -8.21! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.236 K(o=0.24,f=-3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.2 K(o=-4.2,f=-5.5!) USER MOD Single : A 80 THR OG1 : rot -141:sc= 0.41 USER MOD Single : A 84 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.112 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -150:sc= 1.1 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.979 -19.376 3.620 1.00 0.00 N ATOM 2 CA GLY A 1 -35.961 -19.159 2.184 1.00 0.00 C ATOM 3 C GLY A 1 -35.012 -20.141 1.494 1.00 0.00 C ATOM 4 O GLY A 1 -34.704 -21.199 2.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.963 -19.464 3.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.460 -20.248 3.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.527 -18.571 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.967 -19.277 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.650 -18.136 1.971 1.00 0.00 H new ATOM 8 N SER A 2 -34.576 -19.756 0.303 1.00 0.00 N ATOM 9 CA SER A 2 -33.669 -20.590 -0.467 1.00 0.00 C ATOM 10 C SER A 2 -33.074 -19.785 -1.625 1.00 0.00 C ATOM 11 O SER A 2 -33.729 -18.897 -2.169 1.00 0.00 O ATOM 12 CB SER A 2 -34.382 -21.835 -0.997 1.00 0.00 C ATOM 13 OG SER A 2 -33.724 -23.036 -0.601 1.00 0.00 O ATOM 0 H SER A 2 -34.834 -18.878 -0.147 1.00 0.00 H new ATOM 0 HA SER A 2 -32.864 -20.918 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.409 -21.847 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.430 -21.790 -2.085 1.00 0.00 H new ATOM 0 HG SER A 2 -34.211 -23.808 -0.957 1.00 0.00 H new ATOM 19 N SER A 3 -31.840 -20.124 -1.967 1.00 0.00 N ATOM 20 CA SER A 3 -31.150 -19.444 -3.050 1.00 0.00 C ATOM 21 C SER A 3 -30.440 -20.466 -3.941 1.00 0.00 C ATOM 22 O SER A 3 -30.131 -21.571 -3.499 1.00 0.00 O ATOM 23 CB SER A 3 -30.147 -18.424 -2.509 1.00 0.00 C ATOM 24 OG SER A 3 -29.452 -17.751 -3.556 1.00 0.00 O ATOM 0 H SER A 3 -31.300 -20.861 -1.513 1.00 0.00 H new ATOM 0 HA SER A 3 -31.890 -18.906 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.670 -17.693 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.429 -18.929 -1.863 1.00 0.00 H new ATOM 0 HG SER A 3 -28.822 -17.107 -3.170 1.00 0.00 H new ATOM 30 N GLY A 4 -30.202 -20.059 -5.179 1.00 0.00 N ATOM 31 CA GLY A 4 -29.534 -20.925 -6.136 1.00 0.00 C ATOM 32 C GLY A 4 -28.347 -20.211 -6.786 1.00 0.00 C ATOM 33 O GLY A 4 -28.364 -19.938 -7.985 1.00 0.00 O ATOM 0 H GLY A 4 -30.460 -19.141 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.189 -21.829 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.241 -21.237 -6.905 1.00 0.00 H new ATOM 37 N SER A 5 -27.345 -19.930 -5.966 1.00 0.00 N ATOM 38 CA SER A 5 -26.153 -19.254 -6.446 1.00 0.00 C ATOM 39 C SER A 5 -25.279 -20.231 -7.236 1.00 0.00 C ATOM 40 O SER A 5 -25.496 -21.440 -7.188 1.00 0.00 O ATOM 41 CB SER A 5 -25.358 -18.649 -5.287 1.00 0.00 C ATOM 42 OG SER A 5 -25.524 -17.236 -5.206 1.00 0.00 O ATOM 0 H SER A 5 -27.335 -20.159 -4.972 1.00 0.00 H new ATOM 0 HA SER A 5 -26.463 -18.441 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.678 -19.106 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.301 -18.883 -5.411 1.00 0.00 H new ATOM 0 HG SER A 5 -25.002 -16.888 -4.453 1.00 0.00 H new ATOM 48 N SER A 6 -24.310 -19.669 -7.943 1.00 0.00 N ATOM 49 CA SER A 6 -23.402 -20.475 -8.742 1.00 0.00 C ATOM 50 C SER A 6 -22.182 -20.871 -7.908 1.00 0.00 C ATOM 51 O SER A 6 -21.139 -20.225 -7.983 1.00 0.00 O ATOM 52 CB SER A 6 -22.964 -19.726 -10.002 1.00 0.00 C ATOM 53 OG SER A 6 -22.234 -18.542 -9.692 1.00 0.00 O ATOM 0 H SER A 6 -24.134 -18.665 -7.979 1.00 0.00 H new ATOM 0 HA SER A 6 -23.929 -21.377 -9.053 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.348 -20.381 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.842 -19.466 -10.593 1.00 0.00 H new ATOM 0 HG SER A 6 -21.509 -18.758 -9.069 1.00 0.00 H new ATOM 59 N GLY A 7 -22.354 -21.932 -7.133 1.00 0.00 N ATOM 60 CA GLY A 7 -21.280 -22.422 -6.286 1.00 0.00 C ATOM 61 C GLY A 7 -21.038 -21.478 -5.106 1.00 0.00 C ATOM 62 O GLY A 7 -20.974 -20.262 -5.282 1.00 0.00 O ATOM 0 H GLY A 7 -23.221 -22.466 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.529 -23.416 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.366 -22.520 -6.872 1.00 0.00 H new ATOM 66 N MET A 8 -20.911 -22.074 -3.929 1.00 0.00 N ATOM 67 CA MET A 8 -20.678 -21.301 -2.721 1.00 0.00 C ATOM 68 C MET A 8 -19.312 -21.632 -2.114 1.00 0.00 C ATOM 69 O MET A 8 -18.489 -20.741 -1.907 1.00 0.00 O ATOM 70 CB MET A 8 -21.777 -21.605 -1.701 1.00 0.00 C ATOM 71 CG MET A 8 -23.034 -20.781 -1.988 1.00 0.00 C ATOM 72 SD MET A 8 -24.212 -21.762 -2.901 1.00 0.00 S ATOM 73 CE MET A 8 -25.275 -22.290 -1.569 1.00 0.00 C ATOM 0 H MET A 8 -20.965 -23.083 -3.787 1.00 0.00 H new ATOM 0 HA MET A 8 -20.693 -20.242 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.020 -22.667 -1.728 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.416 -21.386 -0.696 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.478 -20.442 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 8 -22.772 -19.889 -2.557 1.00 0.00 H new ATOM 0 HE1 MET A 8 -26.072 -22.918 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 8 -24.694 -22.859 -0.843 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.709 -21.417 -1.082 1.00 0.00 H new ATOM 83 N SER A 9 -19.114 -22.914 -1.846 1.00 0.00 N ATOM 84 CA SER A 9 -17.863 -23.373 -1.267 1.00 0.00 C ATOM 85 C SER A 9 -16.930 -23.877 -2.370 1.00 0.00 C ATOM 86 O SER A 9 -17.068 -25.006 -2.836 1.00 0.00 O ATOM 87 CB SER A 9 -18.106 -24.474 -0.233 1.00 0.00 C ATOM 88 OG SER A 9 -16.917 -25.202 0.061 1.00 0.00 O ATOM 0 H SER A 9 -19.799 -23.650 -2.019 1.00 0.00 H new ATOM 0 HA SER A 9 -17.392 -22.532 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.496 -24.031 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.868 -25.159 -0.605 1.00 0.00 H new ATOM 0 HG SER A 9 -17.113 -25.894 0.726 1.00 0.00 H new ATOM 94 N GLN A 10 -16.001 -23.014 -2.755 1.00 0.00 N ATOM 95 CA GLN A 10 -15.045 -23.357 -3.794 1.00 0.00 C ATOM 96 C GLN A 10 -14.013 -22.240 -3.956 1.00 0.00 C ATOM 97 O GLN A 10 -14.206 -21.323 -4.754 1.00 0.00 O ATOM 98 CB GLN A 10 -15.755 -23.645 -5.118 1.00 0.00 C ATOM 99 CG GLN A 10 -14.799 -24.287 -6.125 1.00 0.00 C ATOM 100 CD GLN A 10 -14.070 -23.222 -6.946 1.00 0.00 C ATOM 101 OE1 GLN A 10 -14.644 -22.238 -7.383 1.00 0.00 O ATOM 102 NE2 GLN A 10 -12.777 -23.472 -7.132 1.00 0.00 N ATOM 0 H GLN A 10 -15.890 -22.078 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.523 -24.266 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.603 -24.307 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.154 -22.718 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.072 -24.906 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.356 -24.946 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.359 -24.315 -6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.204 -22.821 -7.668 1.00 0.00 H new ATOM 111 N LEU A 11 -12.940 -22.353 -3.188 1.00 0.00 N ATOM 112 CA LEU A 11 -11.877 -21.363 -3.236 1.00 0.00 C ATOM 113 C LEU A 11 -11.621 -20.967 -4.692 1.00 0.00 C ATOM 114 O LEU A 11 -11.446 -21.829 -5.552 1.00 0.00 O ATOM 115 CB LEU A 11 -10.632 -21.878 -2.511 1.00 0.00 C ATOM 116 CG LEU A 11 -10.542 -21.550 -1.019 1.00 0.00 C ATOM 117 CD1 LEU A 11 -9.756 -22.627 -0.268 1.00 0.00 C ATOM 118 CD2 LEU A 11 -9.955 -20.154 -0.799 1.00 0.00 C ATOM 0 H LEU A 11 -12.783 -23.115 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.175 -20.458 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.589 -22.961 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.752 -21.469 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.552 -21.543 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.707 -22.370 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.254 -23.589 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.746 -22.690 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.902 -19.946 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.954 -20.109 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.591 -19.412 -1.282 1.00 0.00 H new ATOM 130 N GLY A 12 -11.607 -19.663 -4.923 1.00 0.00 N ATOM 131 CA GLY A 12 -11.376 -19.142 -6.260 1.00 0.00 C ATOM 132 C GLY A 12 -11.835 -17.686 -6.369 1.00 0.00 C ATOM 133 O GLY A 12 -12.678 -17.358 -7.202 1.00 0.00 O ATOM 0 H GLY A 12 -11.752 -18.951 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.316 -19.212 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.911 -19.751 -6.989 1.00 0.00 H new ATOM 137 N SER A 13 -11.259 -16.853 -5.514 1.00 0.00 N ATOM 138 CA SER A 13 -11.598 -15.440 -5.504 1.00 0.00 C ATOM 139 C SER A 13 -10.349 -14.600 -5.777 1.00 0.00 C ATOM 140 O SER A 13 -9.228 -15.075 -5.605 1.00 0.00 O ATOM 141 CB SER A 13 -12.229 -15.035 -4.170 1.00 0.00 C ATOM 142 OG SER A 13 -13.525 -15.602 -3.998 1.00 0.00 O ATOM 0 H SER A 13 -10.560 -17.129 -4.824 1.00 0.00 H new ATOM 0 HA SER A 13 -12.329 -15.258 -6.292 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.583 -15.353 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.299 -13.949 -4.117 1.00 0.00 H new ATOM 0 HG SER A 13 -13.893 -15.321 -3.134 1.00 0.00 H new ATOM 148 N ARG A 14 -10.585 -13.366 -6.198 1.00 0.00 N ATOM 149 CA ARG A 14 -9.493 -12.455 -6.496 1.00 0.00 C ATOM 150 C ARG A 14 -8.797 -12.020 -5.205 1.00 0.00 C ATOM 151 O ARG A 14 -9.451 -11.583 -4.260 1.00 0.00 O ATOM 152 CB ARG A 14 -9.997 -11.216 -7.239 1.00 0.00 C ATOM 153 CG ARG A 14 -10.861 -10.343 -6.326 1.00 0.00 C ATOM 154 CD ARG A 14 -12.054 -9.765 -7.089 1.00 0.00 C ATOM 155 NE ARG A 14 -13.176 -9.512 -6.158 1.00 0.00 N ATOM 156 CZ ARG A 14 -13.172 -8.557 -5.219 1.00 0.00 C ATOM 157 NH1 ARG A 14 -12.104 -7.759 -5.080 1.00 0.00 N ATOM 158 NH2 ARG A 14 -14.235 -8.399 -4.418 1.00 0.00 N ATOM 0 H ARG A 14 -11.517 -12.976 -6.340 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.785 -12.984 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -9.149 -10.637 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.576 -11.521 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.216 -10.934 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.259 -9.532 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -11.765 -8.838 -7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.368 -10.458 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.004 -10.102 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.295 -7.879 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.101 -7.032 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -15.048 -9.006 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.231 -7.671 -3.703 1.00 0.00 H new ATOM 172 N GLY A 15 -7.479 -12.154 -5.207 1.00 0.00 N ATOM 173 CA GLY A 15 -6.687 -11.780 -4.048 1.00 0.00 C ATOM 174 C GLY A 15 -7.021 -10.359 -3.591 1.00 0.00 C ATOM 175 O GLY A 15 -7.855 -9.688 -4.197 1.00 0.00 O ATOM 0 H GLY A 15 -6.940 -12.517 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.873 -12.481 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.626 -11.848 -4.290 1.00 0.00 H new ATOM 179 N ARG A 16 -6.353 -9.942 -2.525 1.00 0.00 N ATOM 180 CA ARG A 16 -6.569 -8.613 -1.979 1.00 0.00 C ATOM 181 C ARG A 16 -5.229 -7.929 -1.702 1.00 0.00 C ATOM 182 O ARG A 16 -4.323 -8.538 -1.136 1.00 0.00 O ATOM 183 CB ARG A 16 -7.381 -8.674 -0.684 1.00 0.00 C ATOM 184 CG ARG A 16 -8.481 -9.734 -0.776 1.00 0.00 C ATOM 185 CD ARG A 16 -9.637 -9.249 -1.653 1.00 0.00 C ATOM 186 NE ARG A 16 -10.913 -9.823 -1.170 1.00 0.00 N ATOM 187 CZ ARG A 16 -11.430 -9.591 0.044 1.00 0.00 C ATOM 188 NH1 ARG A 16 -10.783 -8.796 0.907 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.594 -10.155 0.396 1.00 0.00 N ATOM 0 H ARG A 16 -5.662 -10.501 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.128 -8.038 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.721 -8.901 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.826 -7.699 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.069 -10.656 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.850 -9.968 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.688 -8.160 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.466 -9.541 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.431 -10.434 -1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.897 -8.367 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.177 -8.619 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.086 -10.761 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.987 -9.978 1.320 1.00 0.00 H new ATOM 203 N LEU A 17 -5.146 -6.672 -2.113 1.00 0.00 N ATOM 204 CA LEU A 17 -3.932 -5.899 -1.916 1.00 0.00 C ATOM 205 C LEU A 17 -3.941 -5.293 -0.510 1.00 0.00 C ATOM 206 O LEU A 17 -4.984 -4.860 -0.024 1.00 0.00 O ATOM 207 CB LEU A 17 -3.769 -4.863 -3.030 1.00 0.00 C ATOM 208 CG LEU A 17 -3.458 -5.419 -4.421 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.176 -4.615 -5.507 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.948 -5.484 -4.661 1.00 0.00 C ATOM 0 H LEU A 17 -5.900 -6.170 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.056 -6.544 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.686 -4.277 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.970 -4.177 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.837 -6.440 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.938 -5.031 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.253 -4.664 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.850 -3.576 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.755 -5.883 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.524 -4.483 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.489 -6.133 -3.915 1.00 0.00 H new ATOM 222 N TRP A 18 -2.766 -5.282 0.102 1.00 0.00 N ATOM 223 CA TRP A 18 -2.626 -4.737 1.442 1.00 0.00 C ATOM 224 C TRP A 18 -1.146 -4.421 1.671 1.00 0.00 C ATOM 225 O TRP A 18 -0.285 -4.895 0.931 1.00 0.00 O ATOM 226 CB TRP A 18 -3.201 -5.695 2.487 1.00 0.00 C ATOM 227 CG TRP A 18 -2.705 -7.136 2.350 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.225 -8.121 1.605 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.561 -7.717 3.011 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.504 -9.290 1.737 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.460 -9.036 2.619 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.643 -7.148 3.910 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.454 -9.897 3.075 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.356 -8.021 4.358 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.472 -9.351 3.972 1.00 0.00 C ATOM 0 H TRP A 18 -1.903 -5.641 -0.305 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.199 -3.816 1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.947 -5.327 3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.288 -5.687 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.099 -8.013 0.980 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.701 -10.177 1.273 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.703 -6.118 4.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.396 -10.926 2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.087 -7.634 5.052 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.273 -9.961 4.362 1.00 0.00 H new ATOM 246 N LEU A 19 -0.897 -3.623 2.698 1.00 0.00 N ATOM 247 CA LEU A 19 0.463 -3.238 3.034 1.00 0.00 C ATOM 248 C LEU A 19 0.930 -4.040 4.250 1.00 0.00 C ATOM 249 O LEU A 19 0.148 -4.305 5.161 1.00 0.00 O ATOM 250 CB LEU A 19 0.561 -1.723 3.222 1.00 0.00 C ATOM 251 CG LEU A 19 -0.143 -0.869 2.166 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.470 0.522 2.713 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.681 -0.800 0.879 1.00 0.00 C ATOM 0 H LEU A 19 -1.614 -3.232 3.309 1.00 0.00 H new ATOM 0 HA LEU A 19 1.140 -3.478 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.148 -1.471 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.615 -1.447 3.240 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.090 -1.347 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.970 1.108 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.125 0.428 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.452 1.023 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.158 -0.187 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.654 -0.359 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.818 -1.805 0.481 1.00 0.00 H new ATOM 265 N GLN A 20 2.204 -4.404 4.225 1.00 0.00 N ATOM 266 CA GLN A 20 2.785 -5.171 5.315 1.00 0.00 C ATOM 267 C GLN A 20 3.844 -4.341 6.042 1.00 0.00 C ATOM 268 O GLN A 20 5.008 -4.327 5.643 1.00 0.00 O ATOM 269 CB GLN A 20 3.374 -6.488 4.805 1.00 0.00 C ATOM 270 CG GLN A 20 3.617 -7.463 5.959 1.00 0.00 C ATOM 271 CD GLN A 20 3.765 -8.896 5.444 1.00 0.00 C ATOM 272 OE1 GLN A 20 4.240 -9.143 4.348 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.333 -9.823 6.294 1.00 0.00 N ATOM 0 H GLN A 20 2.850 -4.182 3.468 1.00 0.00 H new ATOM 0 HA GLN A 20 1.994 -5.416 6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.695 -6.938 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.312 -6.294 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.517 -7.173 6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.788 -7.410 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.946 -9.547 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.389 -10.810 6.044 1.00 0.00 H new ATOM 282 N SER A 21 3.404 -3.670 7.096 1.00 0.00 N ATOM 283 CA SER A 21 4.300 -2.840 7.883 1.00 0.00 C ATOM 284 C SER A 21 5.147 -3.715 8.808 1.00 0.00 C ATOM 285 O SER A 21 4.695 -4.766 9.261 1.00 0.00 O ATOM 286 CB SER A 21 3.520 -1.806 8.697 1.00 0.00 C ATOM 287 OG SER A 21 2.320 -2.349 9.241 1.00 0.00 O ATOM 0 H SER A 21 2.438 -3.684 7.424 1.00 0.00 H new ATOM 0 HA SER A 21 4.958 -2.303 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.148 -1.433 9.506 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.277 -0.954 8.063 1.00 0.00 H new ATOM 0 HG SER A 21 1.852 -1.658 9.755 1.00 0.00 H new ATOM 293 N PRO A 22 6.393 -3.238 9.069 1.00 0.00 N ATOM 294 CA PRO A 22 7.308 -3.965 9.933 1.00 0.00 C ATOM 295 C PRO A 22 6.907 -3.820 11.402 1.00 0.00 C ATOM 296 O PRO A 22 6.063 -2.991 11.740 1.00 0.00 O ATOM 297 CB PRO A 22 8.680 -3.384 9.632 1.00 0.00 C ATOM 298 CG PRO A 22 8.427 -2.045 8.958 1.00 0.00 C ATOM 299 CD PRO A 22 6.963 -1.997 8.551 1.00 0.00 C ATOM 0 HA PRO A 22 7.296 -5.039 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.260 -3.258 10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.251 -4.047 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.661 -1.225 9.637 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.070 -1.929 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.463 -1.125 8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.855 -1.933 7.468 1.00 0.00 H new ATOM 307 N THR A 23 7.531 -4.638 12.237 1.00 0.00 N ATOM 308 CA THR A 23 7.250 -4.612 13.662 1.00 0.00 C ATOM 309 C THR A 23 5.794 -5.002 13.926 1.00 0.00 C ATOM 310 O THR A 23 4.994 -5.094 12.996 1.00 0.00 O ATOM 311 CB THR A 23 7.611 -3.222 14.189 1.00 0.00 C ATOM 312 OG1 THR A 23 9.019 -3.285 14.397 1.00 0.00 O ATOM 313 CG2 THR A 23 7.040 -2.957 15.584 1.00 0.00 C ATOM 0 H THR A 23 8.231 -5.324 11.953 1.00 0.00 H new ATOM 0 HA THR A 23 7.852 -5.346 14.197 1.00 0.00 H new ATOM 0 HB THR A 23 7.243 -2.465 13.497 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.338 -2.423 14.737 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.326 -1.957 15.910 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.953 -3.031 15.552 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.434 -3.694 16.284 1.00 0.00 H new ATOM 321 N GLY A 24 5.495 -5.221 15.198 1.00 0.00 N ATOM 322 CA GLY A 24 4.149 -5.599 15.596 1.00 0.00 C ATOM 323 C GLY A 24 3.279 -4.363 15.830 1.00 0.00 C ATOM 324 O GLY A 24 2.357 -4.394 16.644 1.00 0.00 O ATOM 0 H GLY A 24 6.161 -5.144 15.966 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.700 -6.224 14.824 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.190 -6.197 16.506 1.00 0.00 H new ATOM 328 N GLY A 25 3.603 -3.304 15.103 1.00 0.00 N ATOM 329 CA GLY A 25 2.862 -2.059 15.222 1.00 0.00 C ATOM 330 C GLY A 25 1.405 -2.246 14.794 1.00 0.00 C ATOM 331 O GLY A 25 0.680 -3.047 15.381 1.00 0.00 O ATOM 0 H GLY A 25 4.369 -3.282 14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.900 -1.706 16.253 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.331 -1.292 14.605 1.00 0.00 H new ATOM 335 N PRO A 26 1.010 -1.472 13.747 1.00 0.00 N ATOM 336 CA PRO A 26 -0.348 -1.544 13.234 1.00 0.00 C ATOM 337 C PRO A 26 -0.557 -2.820 12.416 1.00 0.00 C ATOM 338 O PRO A 26 0.398 -3.388 11.889 1.00 0.00 O ATOM 339 CB PRO A 26 -0.526 -0.277 12.415 1.00 0.00 C ATOM 340 CG PRO A 26 0.876 0.228 12.116 1.00 0.00 C ATOM 341 CD PRO A 26 1.842 -0.512 13.028 1.00 0.00 C ATOM 0 HA PRO A 26 -1.095 -1.598 14.026 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.072 -0.481 11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.100 0.467 12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.129 0.054 11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.939 1.303 12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.622 -1.014 12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.341 0.172 13.714 1.00 0.00 H new ATOM 349 N PRO A 27 -1.847 -3.244 12.332 1.00 0.00 N ATOM 350 CA PRO A 27 -2.194 -4.441 11.586 1.00 0.00 C ATOM 351 C PRO A 27 -2.145 -4.183 10.079 1.00 0.00 C ATOM 352 O PRO A 27 -1.953 -3.047 9.647 1.00 0.00 O ATOM 353 CB PRO A 27 -3.581 -4.823 12.079 1.00 0.00 C ATOM 354 CG PRO A 27 -4.149 -3.575 12.734 1.00 0.00 C ATOM 355 CD PRO A 27 -3.004 -2.596 12.943 1.00 0.00 C ATOM 0 HA PRO A 27 -1.489 -5.256 11.748 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.212 -5.152 11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.529 -5.648 12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.921 -3.131 12.105 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.618 -3.823 13.686 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.214 -1.635 12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.836 -2.403 14.003 1.00 0.00 H new ATOM 363 N PRO A 28 -2.327 -5.283 9.301 1.00 0.00 N ATOM 364 CA PRO A 28 -2.306 -5.186 7.851 1.00 0.00 C ATOM 365 C PRO A 28 -3.597 -4.558 7.324 1.00 0.00 C ATOM 366 O PRO A 28 -4.669 -5.152 7.429 1.00 0.00 O ATOM 367 CB PRO A 28 -2.097 -6.611 7.365 1.00 0.00 C ATOM 368 CG PRO A 28 -2.474 -7.509 8.532 1.00 0.00 C ATOM 369 CD PRO A 28 -2.557 -6.643 9.778 1.00 0.00 C ATOM 0 HA PRO A 28 -1.513 -4.534 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.717 -6.821 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.062 -6.774 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.429 -7.999 8.343 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.732 -8.296 8.663 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.531 -6.734 10.259 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.809 -6.936 10.514 1.00 0.00 H new ATOM 377 N ILE A 29 -3.453 -3.363 6.770 1.00 0.00 N ATOM 378 CA ILE A 29 -4.595 -2.647 6.227 1.00 0.00 C ATOM 379 C ILE A 29 -4.884 -3.155 4.813 1.00 0.00 C ATOM 380 O ILE A 29 -3.966 -3.329 4.012 1.00 0.00 O ATOM 381 CB ILE A 29 -4.366 -1.136 6.303 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.239 -0.673 7.755 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.462 -0.377 5.552 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.815 -0.204 8.059 1.00 0.00 C ATOM 0 H ILE A 29 -2.563 -2.873 6.685 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.486 -2.841 6.824 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.421 -0.908 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.941 0.139 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.508 -1.489 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.276 0.695 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.461 -0.678 4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.432 -0.606 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.753 0.120 9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.118 -1.025 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.558 0.628 7.404 1.00 0.00 H new ATOM 396 N PHE A 30 -6.163 -3.378 4.549 1.00 0.00 N ATOM 397 CA PHE A 30 -6.584 -3.863 3.245 1.00 0.00 C ATOM 398 C PHE A 30 -7.043 -2.708 2.353 1.00 0.00 C ATOM 399 O PHE A 30 -8.105 -2.129 2.577 1.00 0.00 O ATOM 400 CB PHE A 30 -7.763 -4.809 3.479 1.00 0.00 C ATOM 401 CG PHE A 30 -7.372 -6.146 4.114 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.861 -6.177 5.374 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.535 -7.302 3.417 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.497 -7.417 5.962 1.00 0.00 C ATOM 405 CE2 PHE A 30 -7.172 -8.543 4.006 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.661 -8.574 5.266 1.00 0.00 C ATOM 0 H PHE A 30 -6.921 -3.232 5.215 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.753 -4.363 2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.492 -4.313 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.256 -5.001 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.732 -5.258 5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.940 -7.277 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.090 -7.442 6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.302 -9.462 3.453 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.385 -9.517 5.714 1.00 0.00 H new ATOM 416 N LEU A 31 -6.219 -2.406 1.360 1.00 0.00 N ATOM 417 CA LEU A 31 -6.527 -1.331 0.432 1.00 0.00 C ATOM 418 C LEU A 31 -7.893 -1.588 -0.205 1.00 0.00 C ATOM 419 O LEU A 31 -8.319 -2.735 -0.328 1.00 0.00 O ATOM 420 CB LEU A 31 -5.396 -1.160 -0.584 1.00 0.00 C ATOM 421 CG LEU A 31 -3.974 -1.240 -0.025 1.00 0.00 C ATOM 422 CD1 LEU A 31 -2.998 -0.445 -0.895 1.00 0.00 C ATOM 423 CD2 LEU A 31 -3.933 -0.794 1.437 1.00 0.00 C ATOM 0 H LEU A 31 -5.338 -2.887 1.178 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.596 -0.380 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.506 -1.925 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.518 -0.195 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.655 -2.282 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.994 -0.518 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.999 -0.850 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.304 0.601 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.911 -0.861 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.280 0.236 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.579 -1.439 2.033 1.00 0.00 H new ATOM 435 N PRO A 32 -8.560 -0.472 -0.605 1.00 0.00 N ATOM 436 CA PRO A 32 -9.870 -0.566 -1.227 1.00 0.00 C ATOM 437 C PRO A 32 -9.757 -1.058 -2.671 1.00 0.00 C ATOM 438 O PRO A 32 -9.127 -0.409 -3.504 1.00 0.00 O ATOM 439 CB PRO A 32 -10.457 0.832 -1.120 1.00 0.00 C ATOM 440 CG PRO A 32 -9.281 1.760 -0.864 1.00 0.00 C ATOM 441 CD PRO A 32 -8.087 0.903 -0.476 1.00 0.00 C ATOM 0 HA PRO A 32 -10.517 -1.294 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.979 1.107 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.183 0.889 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.057 2.346 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.518 2.467 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.235 1.092 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.761 1.116 0.542 1.00 0.00 H new ATOM 449 N SER A 33 -10.378 -2.201 -2.924 1.00 0.00 N ATOM 450 CA SER A 33 -10.355 -2.787 -4.253 1.00 0.00 C ATOM 451 C SER A 33 -11.331 -2.045 -5.169 1.00 0.00 C ATOM 452 O SER A 33 -11.140 -2.006 -6.383 1.00 0.00 O ATOM 453 CB SER A 33 -10.701 -4.276 -4.204 1.00 0.00 C ATOM 454 OG SER A 33 -10.681 -4.872 -5.498 1.00 0.00 O ATOM 0 H SER A 33 -10.900 -2.737 -2.231 1.00 0.00 H new ATOM 0 HA SER A 33 -9.346 -2.689 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.992 -4.792 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.689 -4.404 -3.761 1.00 0.00 H new ATOM 0 HG SER A 33 -10.427 -5.815 -5.420 1.00 0.00 H new ATOM 460 N ASP A 34 -12.356 -1.476 -4.551 1.00 0.00 N ATOM 461 CA ASP A 34 -13.362 -0.738 -5.296 1.00 0.00 C ATOM 462 C ASP A 34 -12.670 0.254 -6.234 1.00 0.00 C ATOM 463 O ASP A 34 -13.204 0.592 -7.289 1.00 0.00 O ATOM 464 CB ASP A 34 -14.271 0.056 -4.356 1.00 0.00 C ATOM 465 CG ASP A 34 -15.173 1.083 -5.043 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.109 0.639 -5.742 1.00 0.00 O ATOM 467 OD2 ASP A 34 -14.907 2.289 -4.853 1.00 0.00 O ATOM 0 H ASP A 34 -12.511 -1.511 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.961 -1.456 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.898 -0.644 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.650 0.572 -3.624 1.00 0.00 H new ATOM 472 N GLY A 35 -11.493 0.694 -5.814 1.00 0.00 N ATOM 473 CA GLY A 35 -10.723 1.641 -6.603 1.00 0.00 C ATOM 474 C GLY A 35 -10.488 2.938 -5.827 1.00 0.00 C ATOM 475 O GLY A 35 -9.737 3.805 -6.272 1.00 0.00 O ATOM 0 H GLY A 35 -11.054 0.412 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.765 1.198 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.250 1.859 -7.532 1.00 0.00 H new ATOM 479 N GLN A 36 -11.145 3.031 -4.680 1.00 0.00 N ATOM 480 CA GLN A 36 -11.017 4.208 -3.838 1.00 0.00 C ATOM 481 C GLN A 36 -9.543 4.488 -3.537 1.00 0.00 C ATOM 482 O GLN A 36 -8.675 3.679 -3.862 1.00 0.00 O ATOM 483 CB GLN A 36 -11.820 4.048 -2.545 1.00 0.00 C ATOM 484 CG GLN A 36 -13.226 4.631 -2.697 1.00 0.00 C ATOM 485 CD GLN A 36 -14.037 4.448 -1.413 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.093 5.313 -0.555 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.660 3.275 -1.329 1.00 0.00 N ATOM 0 H GLN A 36 -11.767 2.310 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.426 5.062 -4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.887 2.992 -2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.302 4.548 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.159 5.691 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.738 4.144 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.571 2.595 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.227 3.056 -0.510 1.00 0.00 H new ATOM 496 N ALA A 37 -9.306 5.636 -2.920 1.00 0.00 N ATOM 497 CA ALA A 37 -7.952 6.033 -2.571 1.00 0.00 C ATOM 498 C ALA A 37 -7.816 6.084 -1.048 1.00 0.00 C ATOM 499 O ALA A 37 -8.501 6.862 -0.386 1.00 0.00 O ATOM 500 CB ALA A 37 -7.627 7.374 -3.231 1.00 0.00 C ATOM 0 H ALA A 37 -10.029 6.304 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.231 5.304 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.612 7.672 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.709 7.276 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.329 8.131 -2.881 1.00 0.00 H new ATOM 506 N LEU A 38 -6.928 5.244 -0.537 1.00 0.00 N ATOM 507 CA LEU A 38 -6.694 5.184 0.896 1.00 0.00 C ATOM 508 C LEU A 38 -5.568 6.152 1.266 1.00 0.00 C ATOM 509 O LEU A 38 -4.397 5.876 1.008 1.00 0.00 O ATOM 510 CB LEU A 38 -6.434 3.742 1.336 1.00 0.00 C ATOM 511 CG LEU A 38 -6.817 3.401 2.778 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.295 3.698 3.037 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.455 1.952 3.113 1.00 0.00 C ATOM 0 H LEU A 38 -6.362 4.600 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.582 5.504 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.980 3.075 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.374 3.528 1.202 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.239 4.040 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.541 3.447 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.489 4.757 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.910 3.102 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.737 1.735 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.988 1.279 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.381 1.808 2.993 1.00 0.00 H new ATOM 525 N VAL A 39 -5.962 7.266 1.864 1.00 0.00 N ATOM 526 CA VAL A 39 -5.001 8.277 2.271 1.00 0.00 C ATOM 527 C VAL A 39 -4.282 7.809 3.538 1.00 0.00 C ATOM 528 O VAL A 39 -4.920 7.538 4.554 1.00 0.00 O ATOM 529 CB VAL A 39 -5.702 9.626 2.445 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.069 10.430 3.583 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.691 10.422 1.138 1.00 0.00 C ATOM 0 H VAL A 39 -6.934 7.491 2.077 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.244 8.417 1.500 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.741 9.432 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.586 11.384 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.153 9.870 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.017 10.609 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.195 11.376 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.661 10.601 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.209 9.857 0.363 1.00 0.00 H new ATOM 541 N LEU A 40 -2.964 7.730 3.437 1.00 0.00 N ATOM 542 CA LEU A 40 -2.151 7.300 4.562 1.00 0.00 C ATOM 543 C LEU A 40 -1.411 8.507 5.142 1.00 0.00 C ATOM 544 O LEU A 40 -1.208 9.505 4.453 1.00 0.00 O ATOM 545 CB LEU A 40 -1.227 6.152 4.148 1.00 0.00 C ATOM 546 CG LEU A 40 -1.861 4.760 4.113 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.794 3.676 3.954 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.737 4.525 5.345 1.00 0.00 C ATOM 0 H LEU A 40 -2.438 7.957 2.593 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.781 6.900 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.827 6.373 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.381 6.127 4.835 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.511 4.703 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.271 2.696 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.249 3.835 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.100 3.723 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.175 3.528 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.129 4.609 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.532 5.270 5.374 1.00 0.00 H new ATOM 560 N GLY A 41 -1.027 8.375 6.403 1.00 0.00 N ATOM 561 CA GLY A 41 -0.313 9.442 7.083 1.00 0.00 C ATOM 562 C GLY A 41 -0.405 9.282 8.602 1.00 0.00 C ATOM 563 O GLY A 41 -0.521 8.166 9.106 1.00 0.00 O ATOM 0 H GLY A 41 -1.197 7.545 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.733 9.438 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.728 10.406 6.790 1.00 0.00 H new ATOM 567 N ARG A 42 -0.350 10.414 9.289 1.00 0.00 N ATOM 568 CA ARG A 42 -0.426 10.413 10.740 1.00 0.00 C ATOM 569 C ARG A 42 -1.788 9.889 11.201 1.00 0.00 C ATOM 570 O ARG A 42 -2.820 10.262 10.646 1.00 0.00 O ATOM 571 CB ARG A 42 -0.211 11.819 11.304 1.00 0.00 C ATOM 572 CG ARG A 42 1.133 11.920 12.029 1.00 0.00 C ATOM 573 CD ARG A 42 1.179 13.156 12.930 1.00 0.00 C ATOM 574 NE ARG A 42 0.137 13.058 13.977 1.00 0.00 N ATOM 575 CZ ARG A 42 -1.102 13.552 13.852 1.00 0.00 C ATOM 576 NH1 ARG A 42 -1.462 14.182 12.726 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.981 13.417 14.855 1.00 0.00 N ATOM 0 H ARG A 42 -0.254 11.338 8.868 1.00 0.00 H new ATOM 0 HA ARG A 42 0.363 9.760 11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.247 12.549 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.019 12.066 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.296 11.023 12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.941 11.967 11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.163 13.244 13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.025 14.056 12.335 1.00 0.00 H new ATOM 0 HE ARG A 42 0.377 12.585 14.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.793 14.286 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.405 14.558 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.706 12.938 15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.924 13.793 14.760 1.00 0.00 H new ATOM 591 N GLY A 43 -1.746 9.032 12.210 1.00 0.00 N ATOM 592 CA GLY A 43 -2.964 8.454 12.752 1.00 0.00 C ATOM 593 C GLY A 43 -2.772 6.969 13.068 1.00 0.00 C ATOM 594 O GLY A 43 -1.651 6.464 13.037 1.00 0.00 O ATOM 0 H GLY A 43 -0.888 8.724 12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.253 8.988 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.778 8.575 12.037 1.00 0.00 H new ATOM 598 N PRO A 44 -3.912 6.294 13.374 1.00 0.00 N ATOM 599 CA PRO A 44 -3.880 4.878 13.696 1.00 0.00 C ATOM 600 C PRO A 44 -3.678 4.034 12.436 1.00 0.00 C ATOM 601 O PRO A 44 -3.590 2.809 12.512 1.00 0.00 O ATOM 602 CB PRO A 44 -5.205 4.602 14.389 1.00 0.00 C ATOM 603 CG PRO A 44 -6.119 5.758 14.017 1.00 0.00 C ATOM 604 CD PRO A 44 -5.257 6.860 13.421 1.00 0.00 C ATOM 0 HA PRO A 44 -3.044 4.613 14.343 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.626 3.651 14.063 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.075 4.539 15.469 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.873 5.433 13.300 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.651 6.122 14.896 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.604 7.140 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.286 7.761 14.034 1.00 0.00 H new ATOM 612 N LEU A 45 -3.609 4.722 11.306 1.00 0.00 N ATOM 613 CA LEU A 45 -3.418 4.051 10.031 1.00 0.00 C ATOM 614 C LEU A 45 -2.109 3.259 10.067 1.00 0.00 C ATOM 615 O LEU A 45 -2.115 2.036 9.937 1.00 0.00 O ATOM 616 CB LEU A 45 -3.498 5.055 8.880 1.00 0.00 C ATOM 617 CG LEU A 45 -4.887 5.277 8.278 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.380 4.021 7.558 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.877 5.751 9.345 1.00 0.00 C ATOM 0 H LEU A 45 -3.682 5.738 11.247 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.220 3.334 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.120 6.014 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.829 4.722 8.087 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.813 6.068 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.369 4.206 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.688 3.767 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.434 3.194 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.857 5.901 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.953 4.999 10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.528 6.690 9.774 1.00 0.00 H new ATOM 631 N THR A 46 -1.018 3.990 10.245 1.00 0.00 N ATOM 632 CA THR A 46 0.296 3.371 10.300 1.00 0.00 C ATOM 633 C THR A 46 0.942 3.613 11.665 1.00 0.00 C ATOM 634 O THR A 46 2.128 3.345 11.850 1.00 0.00 O ATOM 635 CB THR A 46 1.122 3.913 9.132 1.00 0.00 C ATOM 636 OG1 THR A 46 1.238 5.307 9.405 1.00 0.00 O ATOM 637 CG2 THR A 46 0.366 3.856 7.803 1.00 0.00 C ATOM 0 H THR A 46 -1.017 5.004 10.353 1.00 0.00 H new ATOM 0 HA THR A 46 0.229 2.288 10.195 1.00 0.00 H new ATOM 0 HB THR A 46 2.047 3.343 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.466 5.784 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.997 4.252 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.104 2.822 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.543 4.453 7.876 1.00 0.00 H new ATOM 645 N GLN A 47 0.133 4.116 12.586 1.00 0.00 N ATOM 646 CA GLN A 47 0.612 4.396 13.929 1.00 0.00 C ATOM 647 C GLN A 47 1.649 5.521 13.900 1.00 0.00 C ATOM 648 O GLN A 47 2.397 5.705 14.858 1.00 0.00 O ATOM 649 CB GLN A 47 1.187 3.137 14.581 1.00 0.00 C ATOM 650 CG GLN A 47 0.096 2.088 14.804 1.00 0.00 C ATOM 651 CD GLN A 47 -0.067 1.774 16.293 1.00 0.00 C ATOM 652 OE1 GLN A 47 0.856 1.893 17.083 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.288 1.369 16.631 1.00 0.00 N ATOM 0 H GLN A 47 -0.850 4.337 12.429 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.234 4.724 14.533 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.972 2.722 13.949 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.649 3.395 15.534 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.849 2.450 14.399 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.347 1.176 14.262 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.015 1.291 15.920 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.498 1.136 17.602 1.00 0.00 H new ATOM 662 N VAL A 48 1.660 6.243 12.789 1.00 0.00 N ATOM 663 CA VAL A 48 2.593 7.344 12.622 1.00 0.00 C ATOM 664 C VAL A 48 2.071 8.568 13.377 1.00 0.00 C ATOM 665 O VAL A 48 0.910 8.947 13.225 1.00 0.00 O ATOM 666 CB VAL A 48 2.823 7.613 11.133 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.709 8.844 10.930 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.420 6.387 10.440 1.00 0.00 C ATOM 0 H VAL A 48 1.038 6.087 11.996 1.00 0.00 H new ATOM 0 HA VAL A 48 3.564 7.090 13.047 1.00 0.00 H new ATOM 0 HB VAL A 48 1.855 7.817 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.857 9.014 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.227 9.716 11.373 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.674 8.680 11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.573 6.605 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.375 6.138 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.737 5.543 10.541 1.00 0.00 H new ATOM 678 N THR A 49 2.953 9.152 14.175 1.00 0.00 N ATOM 679 CA THR A 49 2.595 10.326 14.954 1.00 0.00 C ATOM 680 C THR A 49 3.650 11.421 14.783 1.00 0.00 C ATOM 681 O THR A 49 3.814 12.271 15.657 1.00 0.00 O ATOM 682 CB THR A 49 2.404 9.888 16.407 1.00 0.00 C ATOM 683 OG1 THR A 49 3.469 8.969 16.636 1.00 0.00 O ATOM 684 CG2 THR A 49 1.139 9.049 16.604 1.00 0.00 C ATOM 0 H THR A 49 3.914 8.834 14.299 1.00 0.00 H new ATOM 0 HA THR A 49 1.659 10.763 14.605 1.00 0.00 H new ATOM 0 HB THR A 49 2.360 10.768 17.048 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.422 8.636 17.557 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.051 8.764 17.652 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.266 9.633 16.312 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.198 8.152 15.988 1.00 0.00 H new ATOM 692 N ASP A 50 4.339 11.364 13.652 1.00 0.00 N ATOM 693 CA ASP A 50 5.373 12.340 13.356 1.00 0.00 C ATOM 694 C ASP A 50 4.748 13.536 12.634 1.00 0.00 C ATOM 695 O ASP A 50 3.814 13.373 11.851 1.00 0.00 O ATOM 696 CB ASP A 50 6.447 11.745 12.444 1.00 0.00 C ATOM 697 CG ASP A 50 7.880 11.867 12.966 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.048 12.528 14.013 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.775 11.296 12.307 1.00 0.00 O ATOM 0 H ASP A 50 4.201 10.657 12.930 1.00 0.00 H new ATOM 0 HA ASP A 50 5.829 12.645 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.223 10.690 12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.388 12.234 11.472 1.00 0.00 H new ATOM 704 N ARG A 51 5.290 14.710 12.923 1.00 0.00 N ATOM 705 CA ARG A 51 4.798 15.932 12.311 1.00 0.00 C ATOM 706 C ARG A 51 5.073 15.920 10.806 1.00 0.00 C ATOM 707 O ARG A 51 4.232 16.342 10.014 1.00 0.00 O ATOM 708 CB ARG A 51 5.457 17.164 12.933 1.00 0.00 C ATOM 709 CG ARG A 51 4.902 17.435 14.333 1.00 0.00 C ATOM 710 CD ARG A 51 3.466 17.958 14.262 1.00 0.00 C ATOM 711 NE ARG A 51 2.685 17.451 15.413 1.00 0.00 N ATOM 712 CZ ARG A 51 1.508 17.959 15.804 1.00 0.00 C ATOM 713 NH1 ARG A 51 0.969 18.990 15.139 1.00 0.00 N ATOM 714 NH2 ARG A 51 0.871 17.436 16.860 1.00 0.00 N ATOM 0 H ARG A 51 6.065 14.841 13.573 1.00 0.00 H new ATOM 0 HA ARG A 51 3.723 15.981 12.487 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.535 17.015 12.988 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.287 18.032 12.296 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.930 16.519 14.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.533 18.163 14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.467 19.048 14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.001 17.642 13.329 1.00 0.00 H new ATOM 0 HE ARG A 51 3.066 16.666 15.941 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.454 19.388 14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.073 19.377 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.282 16.651 17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.025 17.822 17.158 1.00 0.00 H new ATOM 728 N LYS A 52 6.255 15.433 10.457 1.00 0.00 N ATOM 729 CA LYS A 52 6.652 15.361 9.061 1.00 0.00 C ATOM 730 C LYS A 52 5.604 14.568 8.277 1.00 0.00 C ATOM 731 O LYS A 52 5.530 14.671 7.054 1.00 0.00 O ATOM 732 CB LYS A 52 8.069 14.799 8.935 1.00 0.00 C ATOM 733 CG LYS A 52 9.071 15.659 9.708 1.00 0.00 C ATOM 734 CD LYS A 52 9.798 16.628 8.773 1.00 0.00 C ATOM 735 CE LYS A 52 11.108 17.113 9.396 1.00 0.00 C ATOM 736 NZ LYS A 52 10.851 18.205 10.361 1.00 0.00 N ATOM 0 H LYS A 52 6.950 15.085 11.117 1.00 0.00 H new ATOM 0 HA LYS A 52 6.690 16.359 8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.094 13.777 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.355 14.757 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.551 16.219 10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.796 15.017 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.004 16.136 7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.156 17.482 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.606 16.285 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.782 17.462 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.751 18.522 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.395 19.001 9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.225 17.860 11.117 1.00 0.00 H new ATOM 750 N CYS A 53 4.821 13.795 9.015 1.00 0.00 N ATOM 751 CA CYS A 53 3.780 12.985 8.404 1.00 0.00 C ATOM 752 C CYS A 53 2.495 13.814 8.351 1.00 0.00 C ATOM 753 O CYS A 53 2.082 14.390 9.356 1.00 0.00 O ATOM 754 CB CYS A 53 3.578 11.666 9.152 1.00 0.00 C ATOM 755 SG CYS A 53 4.127 10.265 8.111 1.00 0.00 S ATOM 0 H CYS A 53 4.886 13.712 10.030 1.00 0.00 H new ATOM 0 HA CYS A 53 4.076 12.711 7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.140 11.678 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.527 11.545 9.415 1.00 0.00 H new ATOM 0 HG CYS A 53 4.157 10.636 6.865 1.00 0.00 H new ATOM 761 N SER A 54 1.899 13.847 7.169 1.00 0.00 N ATOM 762 CA SER A 54 0.669 14.595 6.971 1.00 0.00 C ATOM 763 C SER A 54 -0.507 13.633 6.793 1.00 0.00 C ATOM 764 O SER A 54 -0.396 12.637 6.079 1.00 0.00 O ATOM 765 CB SER A 54 0.779 15.528 5.763 1.00 0.00 C ATOM 766 OG SER A 54 0.166 16.791 6.006 1.00 0.00 O ATOM 0 H SER A 54 2.245 13.368 6.338 1.00 0.00 H new ATOM 0 HA SER A 54 0.497 15.209 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.830 15.677 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.311 15.058 4.898 1.00 0.00 H new ATOM 0 HG SER A 54 0.259 17.358 5.212 1.00 0.00 H new ATOM 772 N ARG A 55 -1.606 13.963 7.455 1.00 0.00 N ATOM 773 CA ARG A 55 -2.801 13.140 7.378 1.00 0.00 C ATOM 774 C ARG A 55 -2.983 12.598 5.959 1.00 0.00 C ATOM 775 O ARG A 55 -3.439 11.471 5.774 1.00 0.00 O ATOM 776 CB ARG A 55 -4.045 13.937 7.775 1.00 0.00 C ATOM 777 CG ARG A 55 -4.778 13.266 8.939 1.00 0.00 C ATOM 778 CD ARG A 55 -6.294 13.345 8.751 1.00 0.00 C ATOM 779 NE ARG A 55 -6.912 12.037 9.064 1.00 0.00 N ATOM 780 CZ ARG A 55 -8.162 11.696 8.723 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.935 12.564 8.056 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.639 10.487 9.049 1.00 0.00 N ATOM 0 H ARG A 55 -1.694 14.789 8.047 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.677 12.310 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.758 14.950 8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.715 14.022 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.471 12.223 9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.499 13.748 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.709 14.117 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.527 13.630 7.725 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.351 11.352 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.572 13.484 7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.887 12.304 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.050 9.826 9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.591 10.227 8.789 1.00 0.00 H new ATOM 796 N ASN A 56 -2.616 13.427 4.992 1.00 0.00 N ATOM 797 CA ASN A 56 -2.732 13.045 3.595 1.00 0.00 C ATOM 798 C ASN A 56 -1.365 13.172 2.920 1.00 0.00 C ATOM 799 O ASN A 56 -1.219 13.896 1.937 1.00 0.00 O ATOM 800 CB ASN A 56 -3.711 13.958 2.854 1.00 0.00 C ATOM 801 CG ASN A 56 -3.645 15.387 3.396 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.605 15.875 3.806 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.810 16.029 3.373 1.00 0.00 N ATOM 0 H ASN A 56 -2.238 14.361 5.149 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.095 12.018 3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.479 13.958 1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.725 13.572 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.870 16.989 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.643 15.561 3.016 1.00 0.00 H new ATOM 810 N GLN A 57 -0.398 12.456 3.475 1.00 0.00 N ATOM 811 CA GLN A 57 0.952 12.479 2.939 1.00 0.00 C ATOM 812 C GLN A 57 0.965 11.941 1.508 1.00 0.00 C ATOM 813 O GLN A 57 1.598 12.522 0.627 1.00 0.00 O ATOM 814 CB GLN A 57 1.910 11.687 3.832 1.00 0.00 C ATOM 815 CG GLN A 57 3.302 11.601 3.202 1.00 0.00 C ATOM 816 CD GLN A 57 3.876 12.996 2.948 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.428 13.989 3.496 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.892 13.015 2.090 1.00 0.00 N ATOM 0 H GLN A 57 -0.523 11.856 4.291 1.00 0.00 H new ATOM 0 HA GLN A 57 1.296 13.513 2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.978 12.163 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.517 10.683 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.969 11.044 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.247 11.050 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.218 12.146 1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.345 13.898 1.856 1.00 0.00 H new ATOM 827 N VAL A 58 0.258 10.836 1.319 1.00 0.00 N ATOM 828 CA VAL A 58 0.180 10.212 0.009 1.00 0.00 C ATOM 829 C VAL A 58 -1.174 9.515 -0.139 1.00 0.00 C ATOM 830 O VAL A 58 -1.816 9.180 0.855 1.00 0.00 O ATOM 831 CB VAL A 58 1.365 9.265 -0.192 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.658 10.048 -0.428 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.511 8.311 0.995 1.00 0.00 C ATOM 0 H VAL A 58 -0.266 10.357 2.051 1.00 0.00 H new ATOM 0 HA VAL A 58 0.246 10.965 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 58 1.169 8.666 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.485 9.352 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.551 10.668 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.861 10.684 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.360 7.649 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.674 8.886 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.603 7.717 1.098 1.00 0.00 H new ATOM 843 N GLU A 59 -1.568 9.317 -1.389 1.00 0.00 N ATOM 844 CA GLU A 59 -2.834 8.666 -1.680 1.00 0.00 C ATOM 845 C GLU A 59 -2.592 7.288 -2.300 1.00 0.00 C ATOM 846 O GLU A 59 -2.171 7.188 -3.452 1.00 0.00 O ATOM 847 CB GLU A 59 -3.700 9.534 -2.594 1.00 0.00 C ATOM 848 CG GLU A 59 -4.915 8.755 -3.101 1.00 0.00 C ATOM 849 CD GLU A 59 -5.693 9.567 -4.139 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.206 9.634 -5.288 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.757 10.102 -3.760 1.00 0.00 O ATOM 0 H GLU A 59 -1.033 9.596 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.375 8.532 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.032 10.420 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.107 9.881 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.589 7.812 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.568 8.507 -2.264 1.00 0.00 H new ATOM 858 N LEU A 60 -2.868 6.261 -1.510 1.00 0.00 N ATOM 859 CA LEU A 60 -2.686 4.894 -1.968 1.00 0.00 C ATOM 860 C LEU A 60 -3.980 4.402 -2.619 1.00 0.00 C ATOM 861 O LEU A 60 -5.069 4.633 -2.096 1.00 0.00 O ATOM 862 CB LEU A 60 -2.198 4.006 -0.821 1.00 0.00 C ATOM 863 CG LEU A 60 -0.699 4.059 -0.523 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.390 5.101 0.553 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.165 2.674 -0.150 1.00 0.00 C ATOM 0 H LEU A 60 -3.216 6.348 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.908 4.848 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.738 4.286 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.467 2.974 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.181 4.370 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.683 5.118 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.713 6.084 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.919 4.844 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.903 2.740 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.685 2.310 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.333 1.984 -0.977 1.00 0.00 H new ATOM 877 N ILE A 61 -3.817 3.734 -3.752 1.00 0.00 N ATOM 878 CA ILE A 61 -4.959 3.208 -4.480 1.00 0.00 C ATOM 879 C ILE A 61 -4.652 1.780 -4.938 1.00 0.00 C ATOM 880 O ILE A 61 -3.758 1.564 -5.754 1.00 0.00 O ATOM 881 CB ILE A 61 -5.346 4.149 -5.622 1.00 0.00 C ATOM 882 CG1 ILE A 61 -6.055 5.396 -5.089 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.184 3.420 -6.674 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.887 6.575 -6.049 1.00 0.00 C ATOM 0 H ILE A 61 -2.912 3.545 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.833 3.155 -3.831 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.432 4.483 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.115 5.184 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.651 5.658 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.445 4.112 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.610 2.590 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.095 3.038 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.400 7.448 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.827 6.800 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.314 6.318 -7.019 1.00 0.00 H new ATOM 896 N ALA A 62 -5.412 0.842 -4.392 1.00 0.00 N ATOM 897 CA ALA A 62 -5.233 -0.559 -4.733 1.00 0.00 C ATOM 898 C ALA A 62 -5.802 -0.816 -6.130 1.00 0.00 C ATOM 899 O ALA A 62 -6.966 -0.518 -6.395 1.00 0.00 O ATOM 900 CB ALA A 62 -5.893 -1.433 -3.666 1.00 0.00 C ATOM 0 H ALA A 62 -6.153 1.025 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.174 -0.816 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.759 -2.484 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.434 -1.234 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.958 -1.205 -3.616 1.00 0.00 H new ATOM 906 N ASP A 63 -4.954 -1.365 -6.988 1.00 0.00 N ATOM 907 CA ASP A 63 -5.358 -1.665 -8.351 1.00 0.00 C ATOM 908 C ASP A 63 -5.218 -3.168 -8.601 1.00 0.00 C ATOM 909 O ASP A 63 -4.172 -3.631 -9.054 1.00 0.00 O ATOM 910 CB ASP A 63 -4.472 -0.933 -9.361 1.00 0.00 C ATOM 911 CG ASP A 63 -5.217 -0.316 -10.546 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.826 -1.100 -11.305 1.00 0.00 O ATOM 913 OD2 ASP A 63 -5.160 0.927 -10.667 1.00 0.00 O ATOM 0 H ASP A 63 -3.989 -1.610 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.391 -1.341 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.930 -0.143 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.728 -1.632 -9.743 1.00 0.00 H new ATOM 918 N PRO A 64 -6.315 -3.907 -8.286 1.00 0.00 N ATOM 919 CA PRO A 64 -6.324 -5.349 -8.472 1.00 0.00 C ATOM 920 C PRO A 64 -6.462 -5.710 -9.952 1.00 0.00 C ATOM 921 O PRO A 64 -6.507 -6.887 -10.306 1.00 0.00 O ATOM 922 CB PRO A 64 -7.487 -5.846 -7.628 1.00 0.00 C ATOM 923 CG PRO A 64 -8.367 -4.633 -7.374 1.00 0.00 C ATOM 924 CD PRO A 64 -7.571 -3.393 -7.748 1.00 0.00 C ATOM 0 HA PRO A 64 -5.392 -5.820 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.041 -6.628 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.134 -6.275 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.280 -4.693 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.668 -4.592 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.101 -2.790 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.399 -2.756 -6.880 1.00 0.00 H new ATOM 932 N GLU A 65 -6.526 -4.675 -10.778 1.00 0.00 N ATOM 933 CA GLU A 65 -6.659 -4.869 -12.211 1.00 0.00 C ATOM 934 C GLU A 65 -5.294 -5.169 -12.834 1.00 0.00 C ATOM 935 O GLU A 65 -5.215 -5.767 -13.907 1.00 0.00 O ATOM 936 CB GLU A 65 -7.307 -3.650 -12.872 1.00 0.00 C ATOM 937 CG GLU A 65 -6.713 -3.398 -14.259 1.00 0.00 C ATOM 938 CD GLU A 65 -7.455 -2.268 -14.976 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.765 -1.269 -14.292 1.00 0.00 O ATOM 940 OE2 GLU A 65 -7.696 -2.430 -16.192 1.00 0.00 O ATOM 0 H GLU A 65 -6.488 -3.700 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.312 -5.725 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.382 -3.806 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.161 -2.771 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.657 -3.143 -14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.769 -4.310 -14.854 1.00 0.00 H new ATOM 947 N SER A 66 -4.253 -4.740 -12.136 1.00 0.00 N ATOM 948 CA SER A 66 -2.895 -4.956 -12.607 1.00 0.00 C ATOM 949 C SER A 66 -1.954 -5.157 -11.418 1.00 0.00 C ATOM 950 O SER A 66 -0.756 -4.898 -11.519 1.00 0.00 O ATOM 951 CB SER A 66 -2.419 -3.785 -13.468 1.00 0.00 C ATOM 952 OG SER A 66 -2.304 -4.144 -14.842 1.00 0.00 O ATOM 0 H SER A 66 -4.322 -4.244 -11.248 1.00 0.00 H new ATOM 0 HA SER A 66 -2.886 -5.854 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.117 -2.954 -13.368 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.453 -3.436 -13.103 1.00 0.00 H new ATOM 0 HG SER A 66 -1.999 -3.369 -15.358 1.00 0.00 H new ATOM 958 N ARG A 67 -2.532 -5.617 -10.318 1.00 0.00 N ATOM 959 CA ARG A 67 -1.760 -5.856 -9.110 1.00 0.00 C ATOM 960 C ARG A 67 -0.772 -4.711 -8.877 1.00 0.00 C ATOM 961 O ARG A 67 0.399 -4.947 -8.584 1.00 0.00 O ATOM 962 CB ARG A 67 -0.990 -7.174 -9.201 1.00 0.00 C ATOM 963 CG ARG A 67 -1.934 -8.371 -9.067 1.00 0.00 C ATOM 964 CD ARG A 67 -2.229 -8.993 -10.433 1.00 0.00 C ATOM 965 NE ARG A 67 -2.758 -10.364 -10.262 1.00 0.00 N ATOM 966 CZ ARG A 67 -3.481 -11.011 -11.187 1.00 0.00 C ATOM 967 NH1 ARG A 67 -3.764 -10.416 -12.353 1.00 0.00 N ATOM 968 NH2 ARG A 67 -3.920 -12.254 -10.944 1.00 0.00 N ATOM 0 H ARG A 67 -3.526 -5.831 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.459 -5.913 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.463 -7.227 -10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.234 -7.213 -8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.488 -9.119 -8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.866 -8.053 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.952 -8.380 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.320 -9.018 -11.034 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.560 -10.847 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.429 -9.470 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.314 -10.909 -13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.704 -12.707 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.470 -12.747 -11.647 1.00 0.00 H new ATOM 982 N THR A 68 -1.281 -3.495 -9.015 1.00 0.00 N ATOM 983 CA THR A 68 -0.458 -2.313 -8.823 1.00 0.00 C ATOM 984 C THR A 68 -1.089 -1.387 -7.781 1.00 0.00 C ATOM 985 O THR A 68 -2.184 -1.657 -7.288 1.00 0.00 O ATOM 986 CB THR A 68 -0.260 -1.648 -10.186 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.523 -1.792 -10.830 1.00 0.00 O ATOM 988 CG2 THR A 68 0.705 -2.427 -11.083 1.00 0.00 C ATOM 0 H THR A 68 -2.253 -3.303 -9.257 1.00 0.00 H new ATOM 0 HA THR A 68 0.523 -2.575 -8.427 1.00 0.00 H new ATOM 0 HB THR A 68 0.114 -0.634 -10.044 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.484 -1.386 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.810 -1.912 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.679 -2.494 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.314 -3.430 -11.253 1.00 0.00 H new ATOM 996 N VAL A 69 -0.372 -0.315 -7.477 1.00 0.00 N ATOM 997 CA VAL A 69 -0.849 0.652 -6.503 1.00 0.00 C ATOM 998 C VAL A 69 -0.270 2.029 -6.833 1.00 0.00 C ATOM 999 O VAL A 69 0.947 2.191 -6.915 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.505 0.182 -5.088 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -0.947 1.212 -4.047 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.122 -1.188 -4.800 1.00 0.00 C ATOM 0 H VAL A 69 0.535 -0.095 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.935 0.737 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 69 0.578 0.082 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.691 0.854 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.440 2.159 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.025 1.358 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.862 -1.499 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.206 -1.126 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.738 -1.917 -5.513 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.168 2.986 -7.014 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.761 4.344 -7.334 1.00 0.00 C ATOM 1014 C ALA A 70 -0.468 5.102 -6.038 1.00 0.00 C ATOM 1015 O ALA A 70 -1.117 4.870 -5.019 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.849 5.019 -8.171 1.00 0.00 C ATOM 0 H ALA A 70 -2.176 2.848 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 70 0.153 4.341 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.544 6.038 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.999 4.458 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.781 5.043 -7.606 1.00 0.00 H new ATOM 1022 N VAL A 71 0.509 5.992 -6.118 1.00 0.00 N ATOM 1023 CA VAL A 71 0.896 6.785 -4.964 1.00 0.00 C ATOM 1024 C VAL A 71 1.025 8.252 -5.380 1.00 0.00 C ATOM 1025 O VAL A 71 1.950 8.618 -6.104 1.00 0.00 O ATOM 1026 CB VAL A 71 2.180 6.224 -4.349 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.534 6.958 -3.055 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.059 4.717 -4.110 1.00 0.00 C ATOM 0 H VAL A 71 1.045 6.182 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 71 0.130 6.731 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 71 2.991 6.387 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.450 6.540 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.682 8.017 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.723 6.841 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.984 4.343 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.231 4.522 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.876 4.212 -5.058 1.00 0.00 H new ATOM 1038 N LYS A 72 0.084 9.054 -4.902 1.00 0.00 N ATOM 1039 CA LYS A 72 0.080 10.473 -5.215 1.00 0.00 C ATOM 1040 C LYS A 72 0.447 11.268 -3.960 1.00 0.00 C ATOM 1041 O LYS A 72 -0.136 11.061 -2.897 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.258 10.882 -5.833 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.150 12.242 -6.525 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.535 12.838 -6.783 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.248 12.098 -7.917 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.698 13.051 -8.955 1.00 0.00 N ATOM 0 H LYS A 72 -0.681 8.748 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 72 0.834 10.699 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.576 10.128 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.023 10.924 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.567 12.924 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.616 12.132 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.134 12.782 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.439 13.894 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.576 11.362 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.104 11.552 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.180 12.532 -9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.356 13.738 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.875 13.554 -9.345 1.00 0.00 H new ATOM 1060 N GLN A 73 1.412 12.161 -4.125 1.00 0.00 N ATOM 1061 CA GLN A 73 1.863 12.988 -3.019 1.00 0.00 C ATOM 1062 C GLN A 73 0.969 14.222 -2.880 1.00 0.00 C ATOM 1063 O GLN A 73 0.934 15.071 -3.769 1.00 0.00 O ATOM 1064 CB GLN A 73 3.329 13.390 -3.198 1.00 0.00 C ATOM 1065 CG GLN A 73 3.726 14.474 -2.194 1.00 0.00 C ATOM 1066 CD GLN A 73 5.246 14.636 -2.135 1.00 0.00 C ATOM 1067 OE1 GLN A 73 6.003 13.687 -2.255 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.650 15.889 -1.944 1.00 0.00 N ATOM 0 H GLN A 73 1.894 12.330 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 73 1.789 12.405 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.968 12.517 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.489 13.753 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.266 15.421 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.345 14.216 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.963 16.638 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.646 16.101 -1.890 1.00 0.00 H new ATOM 1077 N LEU A 74 0.269 14.282 -1.756 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.622 15.398 -1.489 1.00 0.00 C ATOM 1079 C LEU A 74 -0.121 16.163 -0.262 1.00 0.00 C ATOM 1080 O LEU A 74 -0.802 17.058 0.236 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.067 14.911 -1.363 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.430 13.670 -2.180 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.125 12.623 -1.307 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.270 14.045 -3.403 1.00 0.00 C ATOM 0 H LEU A 74 0.301 13.576 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.618 16.098 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.269 14.702 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.730 15.724 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.507 13.222 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.372 11.751 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.460 12.325 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.039 13.046 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.514 13.145 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.190 14.530 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.705 14.728 -4.037 1.00 0.00 H new ATOM 1096 N GLY A 75 1.064 15.781 0.190 1.00 0.00 N ATOM 1097 CA GLY A 75 1.664 16.420 1.349 1.00 0.00 C ATOM 1098 C GLY A 75 2.745 17.418 0.928 1.00 0.00 C ATOM 1099 O GLY A 75 2.695 17.964 -0.173 1.00 0.00 O ATOM 0 H GLY A 75 1.625 15.037 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.894 16.934 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.098 15.663 2.002 1.00 0.00 H new ATOM 1103 N VAL A 76 3.696 17.625 1.826 1.00 0.00 N ATOM 1104 CA VAL A 76 4.787 18.548 1.561 1.00 0.00 C ATOM 1105 C VAL A 76 6.103 17.770 1.498 1.00 0.00 C ATOM 1106 O VAL A 76 6.894 17.956 0.575 1.00 0.00 O ATOM 1107 CB VAL A 76 4.799 19.659 2.613 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.496 19.101 4.005 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.133 20.410 2.602 1.00 0.00 C ATOM 0 H VAL A 76 3.734 17.170 2.738 1.00 0.00 H new ATOM 0 HA VAL A 76 4.650 19.034 0.595 1.00 0.00 H new ATOM 0 HB VAL A 76 4.012 20.369 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.511 19.912 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.512 18.633 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.249 18.360 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.115 21.194 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.944 19.715 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.291 20.857 1.620 1.00 0.00 H new ATOM 1119 N ASN A 77 6.297 16.915 2.491 1.00 0.00 N ATOM 1120 CA ASN A 77 7.503 16.108 2.560 1.00 0.00 C ATOM 1121 C ASN A 77 7.543 15.155 1.364 1.00 0.00 C ATOM 1122 O ASN A 77 6.528 14.560 1.006 1.00 0.00 O ATOM 1123 CB ASN A 77 7.530 15.266 3.837 1.00 0.00 C ATOM 1124 CG ASN A 77 6.977 16.054 5.026 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.779 16.201 5.203 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.914 16.553 5.828 1.00 0.00 N ATOM 0 H ASN A 77 5.639 16.763 3.255 1.00 0.00 H new ATOM 0 HA ASN A 77 8.360 16.781 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.942 14.360 3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.552 14.952 4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.646 17.096 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.900 16.393 5.622 1.00 0.00 H new ATOM 1133 N PRO A 78 8.757 15.037 0.764 1.00 0.00 N ATOM 1134 CA PRO A 78 8.943 14.166 -0.385 1.00 0.00 C ATOM 1135 C PRO A 78 8.971 12.696 0.041 1.00 0.00 C ATOM 1136 O PRO A 78 9.711 12.324 0.949 1.00 0.00 O ATOM 1137 CB PRO A 78 10.244 14.625 -1.021 1.00 0.00 C ATOM 1138 CG PRO A 78 10.973 15.421 0.050 1.00 0.00 C ATOM 1139 CD PRO A 78 9.981 15.726 1.160 1.00 0.00 C ATOM 0 HA PRO A 78 8.122 14.231 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.840 13.773 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.053 15.238 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.818 14.853 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.374 16.344 -0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.343 15.368 2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.817 16.799 1.260 1.00 0.00 H new ATOM 1147 N SER A 79 8.155 11.902 -0.637 1.00 0.00 N ATOM 1148 CA SER A 79 8.078 10.481 -0.341 1.00 0.00 C ATOM 1149 C SER A 79 8.864 9.685 -1.384 1.00 0.00 C ATOM 1150 O SER A 79 9.120 10.177 -2.482 1.00 0.00 O ATOM 1151 CB SER A 79 6.624 10.007 -0.297 1.00 0.00 C ATOM 1152 OG SER A 79 5.995 10.327 0.941 1.00 0.00 O ATOM 0 H SER A 79 7.542 12.215 -1.390 1.00 0.00 H new ATOM 0 HA SER A 79 8.518 10.312 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.068 10.466 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.589 8.929 -0.453 1.00 0.00 H new ATOM 0 HG SER A 79 6.470 9.882 1.674 1.00 0.00 H new ATOM 1158 N THR A 80 9.226 8.469 -1.004 1.00 0.00 N ATOM 1159 CA THR A 80 9.979 7.600 -1.893 1.00 0.00 C ATOM 1160 C THR A 80 9.167 6.347 -2.227 1.00 0.00 C ATOM 1161 O THR A 80 8.800 5.584 -1.335 1.00 0.00 O ATOM 1162 CB THR A 80 11.323 7.294 -1.230 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.945 8.570 -1.102 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.264 6.511 -2.147 1.00 0.00 C ATOM 0 H THR A 80 9.012 8.064 -0.092 1.00 0.00 H new ATOM 0 HA THR A 80 10.176 8.087 -2.848 1.00 0.00 H new ATOM 0 HB THR A 80 11.155 6.727 -0.314 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.903 8.487 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.203 6.320 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.801 5.563 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.460 7.091 -3.049 1.00 0.00 H new ATOM 1172 N VAL A 81 8.910 6.173 -3.515 1.00 0.00 N ATOM 1173 CA VAL A 81 8.148 5.026 -3.978 1.00 0.00 C ATOM 1174 C VAL A 81 9.112 3.944 -4.470 1.00 0.00 C ATOM 1175 O VAL A 81 9.345 3.815 -5.671 1.00 0.00 O ATOM 1176 CB VAL A 81 7.143 5.461 -5.046 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.588 4.252 -5.802 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.013 6.289 -4.431 1.00 0.00 C ATOM 0 H VAL A 81 9.216 6.807 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 81 7.568 4.598 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 81 7.669 6.092 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.876 4.589 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.406 3.720 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.086 3.584 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.313 6.585 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.491 5.693 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.429 7.179 -3.960 1.00 0.00 H new ATOM 1188 N GLY A 82 9.646 3.195 -3.517 1.00 0.00 N ATOM 1189 CA GLY A 82 10.580 2.128 -3.839 1.00 0.00 C ATOM 1190 C GLY A 82 12.026 2.599 -3.677 1.00 0.00 C ATOM 1191 O GLY A 82 12.589 2.524 -2.586 1.00 0.00 O ATOM 0 H GLY A 82 9.450 3.305 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.398 1.272 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.415 1.792 -4.863 1.00 0.00 H new ATOM 1195 N VAL A 83 12.587 3.073 -4.780 1.00 0.00 N ATOM 1196 CA VAL A 83 13.958 3.556 -4.774 1.00 0.00 C ATOM 1197 C VAL A 83 14.025 4.896 -5.509 1.00 0.00 C ATOM 1198 O VAL A 83 15.107 5.357 -5.869 1.00 0.00 O ATOM 1199 CB VAL A 83 14.887 2.499 -5.373 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.626 2.324 -6.871 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.354 2.845 -5.109 1.00 0.00 C ATOM 0 H VAL A 83 12.117 3.133 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 83 14.298 3.728 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 83 14.673 1.549 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.300 1.567 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.594 2.010 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.798 3.271 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.993 2.077 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.587 3.810 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.528 2.894 -4.034 1.00 0.00 H new ATOM 1211 N GLN A 84 12.855 5.484 -5.710 1.00 0.00 N ATOM 1212 CA GLN A 84 12.767 6.762 -6.395 1.00 0.00 C ATOM 1213 C GLN A 84 12.020 7.779 -5.529 1.00 0.00 C ATOM 1214 O GLN A 84 10.993 7.457 -4.934 1.00 0.00 O ATOM 1215 CB GLN A 84 12.095 6.607 -7.761 1.00 0.00 C ATOM 1216 CG GLN A 84 11.656 7.964 -8.314 1.00 0.00 C ATOM 1217 CD GLN A 84 11.624 7.949 -9.843 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.763 6.920 -10.483 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.435 9.146 -10.392 1.00 0.00 N ATOM 0 H GLN A 84 11.960 5.099 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 84 13.778 7.131 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.786 6.133 -8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.230 5.950 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.668 8.215 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.339 8.740 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.326 9.968 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.399 9.242 -11.407 1.00 0.00 H new ATOM 1228 N GLU A 85 12.565 8.985 -5.486 1.00 0.00 N ATOM 1229 CA GLU A 85 11.964 10.051 -4.703 1.00 0.00 C ATOM 1230 C GLU A 85 10.805 10.687 -5.473 1.00 0.00 C ATOM 1231 O GLU A 85 10.870 10.829 -6.693 1.00 0.00 O ATOM 1232 CB GLU A 85 13.006 11.102 -4.315 1.00 0.00 C ATOM 1233 CG GLU A 85 13.046 11.300 -2.798 1.00 0.00 C ATOM 1234 CD GLU A 85 14.358 10.773 -2.212 1.00 0.00 C ATOM 1235 OE1 GLU A 85 15.416 11.146 -2.763 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.273 10.011 -1.225 1.00 0.00 O ATOM 0 H GLU A 85 13.417 9.248 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 85 11.570 9.620 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.989 10.794 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.773 12.048 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.937 12.359 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.204 10.783 -2.338 1.00 0.00 H new ATOM 1243 N LEU A 86 9.771 11.051 -4.729 1.00 0.00 N ATOM 1244 CA LEU A 86 8.599 11.668 -5.327 1.00 0.00 C ATOM 1245 C LEU A 86 8.651 13.180 -5.098 1.00 0.00 C ATOM 1246 O LEU A 86 9.616 13.693 -4.534 1.00 0.00 O ATOM 1247 CB LEU A 86 7.321 11.010 -4.803 1.00 0.00 C ATOM 1248 CG LEU A 86 6.913 9.701 -5.481 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.475 9.321 -5.121 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.123 9.779 -6.995 1.00 0.00 C ATOM 0 H LEU A 86 9.720 10.931 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 86 8.593 11.509 -6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.445 10.820 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.501 11.721 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 86 7.559 8.907 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.211 8.387 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.391 9.196 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.797 10.110 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.825 8.836 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.518 10.588 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.175 9.969 -7.207 1.00 0.00 H new ATOM 1262 N LYS A 87 7.601 13.851 -5.548 1.00 0.00 N ATOM 1263 CA LYS A 87 7.515 15.293 -5.399 1.00 0.00 C ATOM 1264 C LYS A 87 6.093 15.675 -4.983 1.00 0.00 C ATOM 1265 O LYS A 87 5.190 14.840 -5.007 1.00 0.00 O ATOM 1266 CB LYS A 87 7.990 15.993 -6.674 1.00 0.00 C ATOM 1267 CG LYS A 87 9.436 16.473 -6.529 1.00 0.00 C ATOM 1268 CD LYS A 87 10.376 15.657 -7.419 1.00 0.00 C ATOM 1269 CE LYS A 87 11.534 16.518 -7.928 1.00 0.00 C ATOM 1270 NZ LYS A 87 12.829 15.975 -7.460 1.00 0.00 N ATOM 0 H LYS A 87 6.803 13.422 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 87 8.182 15.634 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.913 15.309 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.341 16.842 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.501 17.528 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.749 16.387 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.768 14.808 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.821 15.251 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.519 16.551 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.415 17.543 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.604 16.571 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.846 15.967 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.948 15.005 -7.816 1.00 0.00 H new ATOM 1284 N PRO A 88 5.934 16.970 -4.600 1.00 0.00 N ATOM 1285 CA PRO A 88 4.637 17.473 -4.179 1.00 0.00 C ATOM 1286 C PRO A 88 3.712 17.678 -5.380 1.00 0.00 C ATOM 1287 O PRO A 88 3.930 18.578 -6.189 1.00 0.00 O ATOM 1288 CB PRO A 88 4.938 18.763 -3.434 1.00 0.00 C ATOM 1289 CG PRO A 88 6.337 19.176 -3.863 1.00 0.00 C ATOM 1290 CD PRO A 88 6.981 17.987 -4.558 1.00 0.00 C ATOM 0 HA PRO A 88 4.103 16.773 -3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.210 19.536 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.889 18.612 -2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.293 20.033 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.928 19.479 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.318 18.250 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.855 17.634 -4.010 1.00 0.00 H new ATOM 1298 N GLY A 89 2.698 16.828 -5.458 1.00 0.00 N ATOM 1299 CA GLY A 89 1.739 16.905 -6.546 1.00 0.00 C ATOM 1300 C GLY A 89 2.054 15.870 -7.628 1.00 0.00 C ATOM 1301 O GLY A 89 1.389 15.826 -8.663 1.00 0.00 O ATOM 0 H GLY A 89 2.520 16.083 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.733 16.739 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.754 17.905 -6.979 1.00 0.00 H new ATOM 1305 N LEU A 90 3.066 15.062 -7.352 1.00 0.00 N ATOM 1306 CA LEU A 90 3.477 14.029 -8.289 1.00 0.00 C ATOM 1307 C LEU A 90 2.636 12.772 -8.056 1.00 0.00 C ATOM 1308 O LEU A 90 1.781 12.748 -7.173 1.00 0.00 O ATOM 1309 CB LEU A 90 4.984 13.787 -8.193 1.00 0.00 C ATOM 1310 CG LEU A 90 5.682 13.375 -9.491 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.131 14.160 -10.682 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.200 13.514 -9.365 1.00 0.00 C ATOM 0 H LEU A 90 3.614 15.101 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 90 3.294 14.350 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.455 14.698 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.161 13.012 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 90 5.470 12.322 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.644 13.848 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.063 13.966 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.293 15.226 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.672 13.215 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.453 14.551 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.558 12.875 -8.558 1.00 0.00 H new ATOM 1324 N SER A 91 2.909 11.759 -8.865 1.00 0.00 N ATOM 1325 CA SER A 91 2.189 10.501 -8.758 1.00 0.00 C ATOM 1326 C SER A 91 3.009 9.373 -9.386 1.00 0.00 C ATOM 1327 O SER A 91 3.540 9.525 -10.485 1.00 0.00 O ATOM 1328 CB SER A 91 0.816 10.595 -9.427 1.00 0.00 C ATOM 1329 OG SER A 91 0.554 11.903 -9.928 1.00 0.00 O ATOM 0 H SER A 91 3.619 11.783 -9.597 1.00 0.00 H new ATOM 0 HA SER A 91 2.035 10.284 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.761 9.876 -10.244 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.043 10.320 -8.709 1.00 0.00 H new ATOM 0 HG SER A 91 -0.331 11.921 -10.349 1.00 0.00 H new ATOM 1335 N GLY A 92 3.087 8.267 -8.661 1.00 0.00 N ATOM 1336 CA GLY A 92 3.834 7.114 -9.134 1.00 0.00 C ATOM 1337 C GLY A 92 3.037 5.823 -8.930 1.00 0.00 C ATOM 1338 O GLY A 92 1.844 5.866 -8.636 1.00 0.00 O ATOM 0 H GLY A 92 2.645 8.145 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.069 7.237 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.783 7.048 -8.602 1.00 0.00 H new ATOM 1342 N SER A 93 3.730 4.706 -9.094 1.00 0.00 N ATOM 1343 CA SER A 93 3.102 3.406 -8.932 1.00 0.00 C ATOM 1344 C SER A 93 3.983 2.504 -8.065 1.00 0.00 C ATOM 1345 O SER A 93 5.202 2.663 -8.036 1.00 0.00 O ATOM 1346 CB SER A 93 2.840 2.747 -10.288 1.00 0.00 C ATOM 1347 OG SER A 93 1.520 3.001 -10.759 1.00 0.00 O ATOM 0 H SER A 93 4.720 4.674 -9.337 1.00 0.00 H new ATOM 0 HA SER A 93 2.141 3.550 -8.437 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.562 3.117 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.994 1.671 -10.204 1.00 0.00 H new ATOM 0 HG SER A 93 1.393 2.565 -11.627 1.00 0.00 H new ATOM 1353 N LEU A 94 3.331 1.576 -7.379 1.00 0.00 N ATOM 1354 CA LEU A 94 4.039 0.649 -6.514 1.00 0.00 C ATOM 1355 C LEU A 94 3.700 -0.786 -6.924 1.00 0.00 C ATOM 1356 O LEU A 94 2.528 -1.140 -7.042 1.00 0.00 O ATOM 1357 CB LEU A 94 3.743 0.955 -5.044 1.00 0.00 C ATOM 1358 CG LEU A 94 4.939 1.393 -4.196 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.802 2.855 -3.769 1.00 0.00 C ATOM 1360 CD2 LEU A 94 5.132 0.461 -2.998 1.00 0.00 C ATOM 0 H LEU A 94 2.320 1.447 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 94 5.116 0.768 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.987 1.739 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.307 0.066 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 94 5.838 1.320 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.665 3.141 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.750 3.489 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.893 2.979 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.988 0.794 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.237 0.478 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.308 -0.555 -3.352 1.00 0.00 H new ATOM 1372 N SER A 95 4.747 -1.572 -7.129 1.00 0.00 N ATOM 1373 CA SER A 95 4.574 -2.960 -7.524 1.00 0.00 C ATOM 1374 C SER A 95 4.556 -3.857 -6.285 1.00 0.00 C ATOM 1375 O SER A 95 4.997 -3.449 -5.211 1.00 0.00 O ATOM 1376 CB SER A 95 5.681 -3.401 -8.483 1.00 0.00 C ATOM 1377 OG SER A 95 5.736 -2.582 -9.648 1.00 0.00 O ATOM 0 H SER A 95 5.718 -1.274 -7.029 1.00 0.00 H new ATOM 0 HA SER A 95 3.621 -3.052 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.642 -3.365 -7.969 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.515 -4.438 -8.776 1.00 0.00 H new ATOM 0 HG SER A 95 6.456 -2.895 -10.234 1.00 0.00 H new ATOM 1383 N LEU A 96 4.041 -5.063 -6.474 1.00 0.00 N ATOM 1384 CA LEU A 96 3.960 -6.022 -5.386 1.00 0.00 C ATOM 1385 C LEU A 96 5.359 -6.257 -4.813 1.00 0.00 C ATOM 1386 O LEU A 96 6.207 -6.862 -5.466 1.00 0.00 O ATOM 1387 CB LEU A 96 3.262 -7.302 -5.850 1.00 0.00 C ATOM 1388 CG LEU A 96 1.788 -7.440 -5.465 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.121 -8.573 -6.247 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.630 -7.617 -3.954 1.00 0.00 C ATOM 0 H LEU A 96 3.675 -5.398 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 96 3.346 -5.628 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.340 -7.362 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.804 -8.156 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 96 1.277 -6.516 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.074 -8.650 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.185 -8.365 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.628 -9.513 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.573 -7.713 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.160 -8.515 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.045 -6.750 -3.441 1.00 0.00 H new ATOM 1402 N GLY A 97 5.557 -5.765 -3.599 1.00 0.00 N ATOM 1403 CA GLY A 97 6.838 -5.914 -2.931 1.00 0.00 C ATOM 1404 C GLY A 97 7.522 -4.557 -2.747 1.00 0.00 C ATOM 1405 O GLY A 97 8.213 -4.336 -1.754 1.00 0.00 O ATOM 0 H GLY A 97 4.851 -5.263 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.693 -6.387 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.481 -6.574 -3.513 1.00 0.00 H new ATOM 1409 N ASP A 98 7.305 -3.685 -3.720 1.00 0.00 N ATOM 1410 CA ASP A 98 7.891 -2.356 -3.678 1.00 0.00 C ATOM 1411 C ASP A 98 7.599 -1.717 -2.319 1.00 0.00 C ATOM 1412 O ASP A 98 6.579 -2.011 -1.697 1.00 0.00 O ATOM 1413 CB ASP A 98 7.294 -1.456 -4.762 1.00 0.00 C ATOM 1414 CG ASP A 98 7.919 -1.613 -6.150 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.319 -2.755 -6.466 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.983 -0.589 -6.863 1.00 0.00 O ATOM 0 H ASP A 98 6.731 -3.873 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 98 8.964 -2.455 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.226 -1.661 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.398 -0.417 -4.449 1.00 0.00 H new ATOM 1421 N VAL A 99 8.512 -0.854 -1.898 1.00 0.00 N ATOM 1422 CA VAL A 99 8.365 -0.171 -0.624 1.00 0.00 C ATOM 1423 C VAL A 99 7.816 1.237 -0.865 1.00 0.00 C ATOM 1424 O VAL A 99 7.919 1.766 -1.971 1.00 0.00 O ATOM 1425 CB VAL A 99 9.698 -0.172 0.127 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.576 0.569 1.460 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.207 -1.599 0.338 1.00 0.00 C ATOM 0 H VAL A 99 9.356 -0.612 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 99 7.649 -0.695 0.010 1.00 0.00 H new ATOM 0 HB VAL A 99 10.428 0.357 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.537 0.554 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.279 1.602 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.825 0.080 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.156 -1.571 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.478 -2.163 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.351 -2.081 -0.629 1.00 0.00 H new ATOM 1437 N LEU A 100 7.244 1.803 0.187 1.00 0.00 N ATOM 1438 CA LEU A 100 6.679 3.139 0.104 1.00 0.00 C ATOM 1439 C LEU A 100 6.984 3.899 1.396 1.00 0.00 C ATOM 1440 O LEU A 100 6.160 3.934 2.309 1.00 0.00 O ATOM 1441 CB LEU A 100 5.188 3.069 -0.232 1.00 0.00 C ATOM 1442 CG LEU A 100 4.415 4.386 -0.127 1.00 0.00 C ATOM 1443 CD1 LEU A 100 5.012 5.448 -1.052 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.924 4.168 -0.391 1.00 0.00 C ATOM 0 H LEU A 100 7.160 1.361 1.102 1.00 0.00 H new ATOM 0 HA LEU A 100 7.140 3.698 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.082 2.688 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.720 2.342 0.431 1.00 0.00 H new ATOM 0 HG LEU A 100 4.511 4.758 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.444 6.374 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.050 5.630 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.968 5.099 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.397 5.119 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.788 3.761 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.523 3.468 0.342 1.00 0.00 H new ATOM 1456 N TYR A 101 8.170 4.488 1.433 1.00 0.00 N ATOM 1457 CA TYR A 101 8.594 5.245 2.598 1.00 0.00 C ATOM 1458 C TYR A 101 7.656 6.427 2.855 1.00 0.00 C ATOM 1459 O TYR A 101 7.782 7.473 2.220 1.00 0.00 O ATOM 1460 CB TYR A 101 9.990 5.778 2.270 1.00 0.00 C ATOM 1461 CG TYR A 101 11.041 4.686 2.063 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.619 4.070 3.155 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.411 4.317 0.786 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.608 3.042 2.960 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.400 3.289 0.592 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.950 2.702 1.689 1.00 0.00 C ATOM 1467 OH TYR A 101 13.884 1.731 1.505 1.00 0.00 O ATOM 0 H TYR A 101 8.851 4.456 0.674 1.00 0.00 H new ATOM 0 HA TYR A 101 8.586 4.616 3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.932 6.388 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.316 6.433 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.330 4.359 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.959 4.799 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.068 2.552 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.699 2.991 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 101 14.027 1.592 0.545 1.00 0.00 H new ATOM 1477 N LEU A 102 6.738 6.220 3.787 1.00 0.00 N ATOM 1478 CA LEU A 102 5.780 7.255 4.136 1.00 0.00 C ATOM 1479 C LEU A 102 6.471 8.620 4.092 1.00 0.00 C ATOM 1480 O LEU A 102 6.054 9.507 3.350 1.00 0.00 O ATOM 1481 CB LEU A 102 5.119 6.943 5.480 1.00 0.00 C ATOM 1482 CG LEU A 102 3.592 6.851 5.471 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.119 5.535 6.092 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.965 8.066 6.157 1.00 0.00 C ATOM 0 H LEU A 102 6.637 5.351 4.311 1.00 0.00 H new ATOM 0 HA LEU A 102 4.969 7.284 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.518 5.998 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.413 7.712 6.194 1.00 0.00 H new ATOM 0 HG LEU A 102 3.256 6.858 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.030 5.495 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.523 4.698 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.467 5.474 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.879 7.975 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.306 8.116 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.263 8.974 5.633 1.00 0.00 H new ATOM 1496 N VAL A 103 7.516 8.744 4.898 1.00 0.00 N ATOM 1497 CA VAL A 103 8.269 9.985 4.960 1.00 0.00 C ATOM 1498 C VAL A 103 9.636 9.715 5.593 1.00 0.00 C ATOM 1499 O VAL A 103 9.896 8.612 6.070 1.00 0.00 O ATOM 1500 CB VAL A 103 7.463 11.049 5.708 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.339 10.699 7.193 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.080 12.436 5.521 1.00 0.00 C ATOM 0 H VAL A 103 7.858 8.006 5.513 1.00 0.00 H new ATOM 0 HA VAL A 103 8.446 10.376 3.958 1.00 0.00 H new ATOM 0 HB VAL A 103 6.459 11.069 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.762 11.471 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.834 9.739 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.333 10.637 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.488 13.174 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.100 12.436 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.093 12.689 4.461 1.00 0.00 H new ATOM 1512 N ASN A 104 10.472 10.743 5.578 1.00 0.00 N ATOM 1513 CA ASN A 104 11.805 10.631 6.144 1.00 0.00 C ATOM 1514 C ASN A 104 12.419 9.291 5.732 1.00 0.00 C ATOM 1515 O ASN A 104 13.148 8.674 6.507 1.00 0.00 O ATOM 1516 CB ASN A 104 11.760 10.680 7.673 1.00 0.00 C ATOM 1517 CG ASN A 104 12.653 11.800 8.212 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.849 11.643 8.393 1.00 0.00 O ATOM 1519 ND2 ASN A 104 12.006 12.936 8.457 1.00 0.00 N ATOM 0 H ASN A 104 10.252 11.657 5.183 1.00 0.00 H new ATOM 0 HA ASN A 104 12.400 11.466 5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.734 10.836 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.085 9.723 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.513 13.744 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.003 12.999 8.283 1.00 0.00 H new ATOM 1526 N GLY A 105 12.101 8.881 4.513 1.00 0.00 N ATOM 1527 CA GLY A 105 12.612 7.626 3.989 1.00 0.00 C ATOM 1528 C GLY A 105 12.439 6.496 5.006 1.00 0.00 C ATOM 1529 O GLY A 105 13.144 5.489 4.947 1.00 0.00 O ATOM 0 H GLY A 105 11.496 9.396 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.089 7.373 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.667 7.735 3.738 1.00 0.00 H new ATOM 1533 N LEU A 106 11.498 6.700 5.916 1.00 0.00 N ATOM 1534 CA LEU A 106 11.223 5.711 6.944 1.00 0.00 C ATOM 1535 C LEU A 106 9.784 5.213 6.796 1.00 0.00 C ATOM 1536 O LEU A 106 9.112 5.531 5.816 1.00 0.00 O ATOM 1537 CB LEU A 106 11.538 6.278 8.330 1.00 0.00 C ATOM 1538 CG LEU A 106 13.021 6.391 8.688 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.204 6.959 10.096 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.731 5.047 8.515 1.00 0.00 C ATOM 0 H LEU A 106 10.916 7.536 5.963 1.00 0.00 H new ATOM 0 HA LEU A 106 11.874 4.845 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.090 7.269 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.051 5.650 9.077 1.00 0.00 H new ATOM 0 HG LEU A 106 13.487 7.092 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.267 7.029 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.756 7.951 10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.720 6.303 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.784 5.155 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.270 4.305 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.646 4.721 7.478 1.00 0.00 H new ATOM 1552 N TYR A 107 9.355 4.440 7.782 1.00 0.00 N ATOM 1553 CA TYR A 107 8.008 3.895 7.774 1.00 0.00 C ATOM 1554 C TYR A 107 7.636 3.374 6.384 1.00 0.00 C ATOM 1555 O TYR A 107 6.681 3.852 5.773 1.00 0.00 O ATOM 1556 CB TYR A 107 7.080 5.057 8.135 1.00 0.00 C ATOM 1557 CG TYR A 107 7.671 6.031 9.157 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.095 5.567 10.386 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.779 7.372 8.850 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.651 6.483 11.348 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.335 8.288 9.812 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.744 7.799 11.013 1.00 0.00 C ATOM 1563 OH TYR A 107 9.269 8.664 11.922 1.00 0.00 O ATOM 0 H TYR A 107 9.916 4.178 8.592 1.00 0.00 H new ATOM 0 HA TYR A 107 7.927 3.063 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.832 5.606 7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.147 4.654 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.010 4.517 10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.447 7.734 7.888 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.987 6.134 12.313 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.425 9.340 9.585 1.00 0.00 H new ATOM 0 HH TYR A 107 8.868 9.550 11.800 1.00 0.00 H new ATOM 1573 N PRO A 108 8.430 2.376 5.913 1.00 0.00 N ATOM 1574 CA PRO A 108 8.194 1.785 4.607 1.00 0.00 C ATOM 1575 C PRO A 108 6.982 0.852 4.638 1.00 0.00 C ATOM 1576 O PRO A 108 6.900 -0.038 5.483 1.00 0.00 O ATOM 1577 CB PRO A 108 9.488 1.066 4.261 1.00 0.00 C ATOM 1578 CG PRO A 108 10.230 0.888 5.576 1.00 0.00 C ATOM 1579 CD PRO A 108 9.570 1.785 6.609 1.00 0.00 C ATOM 0 HA PRO A 108 7.951 2.528 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.286 0.103 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.080 1.646 3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.194 -0.153 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.282 1.150 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.249 1.215 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.258 2.552 6.965 1.00 0.00 H new ATOM 1587 N LEU A 109 6.070 1.088 3.706 1.00 0.00 N ATOM 1588 CA LEU A 109 4.865 0.281 3.616 1.00 0.00 C ATOM 1589 C LEU A 109 4.990 -0.683 2.435 1.00 0.00 C ATOM 1590 O LEU A 109 4.713 -0.313 1.295 1.00 0.00 O ATOM 1591 CB LEU A 109 3.625 1.174 3.553 1.00 0.00 C ATOM 1592 CG LEU A 109 3.180 1.799 4.876 1.00 0.00 C ATOM 1593 CD1 LEU A 109 2.622 0.736 5.825 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.318 2.597 5.516 1.00 0.00 C ATOM 0 H LEU A 109 6.142 1.827 3.006 1.00 0.00 H new ATOM 0 HA LEU A 109 4.745 -0.327 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.816 1.977 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.798 0.586 3.156 1.00 0.00 H new ATOM 0 HG LEU A 109 2.372 2.500 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.313 1.207 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.763 0.250 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.392 -0.007 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.975 3.031 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.163 1.936 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.628 3.394 4.840 1.00 0.00 H new ATOM 1606 N THR A 110 5.408 -1.901 2.748 1.00 0.00 N ATOM 1607 CA THR A 110 5.572 -2.921 1.726 1.00 0.00 C ATOM 1608 C THR A 110 4.212 -3.339 1.165 1.00 0.00 C ATOM 1609 O THR A 110 3.274 -3.586 1.922 1.00 0.00 O ATOM 1610 CB THR A 110 6.359 -4.082 2.339 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.659 -3.541 2.560 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.593 -5.221 1.344 1.00 0.00 C ATOM 0 H THR A 110 5.638 -2.204 3.694 1.00 0.00 H new ATOM 0 HA THR A 110 6.136 -2.540 0.875 1.00 0.00 H new ATOM 0 HB THR A 110 5.824 -4.464 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.235 -4.227 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.155 -6.019 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.633 -5.609 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.157 -4.847 0.490 1.00 0.00 H new ATOM 1620 N LEU A 111 4.147 -3.406 -0.156 1.00 0.00 N ATOM 1621 CA LEU A 111 2.917 -3.789 -0.827 1.00 0.00 C ATOM 1622 C LEU A 111 2.886 -5.310 -0.996 1.00 0.00 C ATOM 1623 O LEU A 111 3.842 -5.902 -1.493 1.00 0.00 O ATOM 1624 CB LEU A 111 2.761 -3.021 -2.142 1.00 0.00 C ATOM 1625 CG LEU A 111 1.506 -3.336 -2.958 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.240 -2.975 -2.178 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.554 -2.649 -4.324 1.00 0.00 C ATOM 0 H LEU A 111 4.927 -3.201 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 111 2.052 -3.517 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.767 -1.954 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.634 -3.222 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 111 1.477 -4.410 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.638 -3.209 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.207 -3.549 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.247 -1.910 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.650 -2.889 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.620 -1.570 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.427 -2.998 -4.876 1.00 0.00 H new ATOM 1639 N ARG A 112 1.776 -5.897 -0.573 1.00 0.00 N ATOM 1640 CA ARG A 112 1.608 -7.337 -0.671 1.00 0.00 C ATOM 1641 C ARG A 112 0.258 -7.672 -1.309 1.00 0.00 C ATOM 1642 O ARG A 112 -0.585 -6.793 -1.482 1.00 0.00 O ATOM 1643 CB ARG A 112 1.691 -7.997 0.707 1.00 0.00 C ATOM 1644 CG ARG A 112 3.100 -7.874 1.290 1.00 0.00 C ATOM 1645 CD ARG A 112 4.007 -8.993 0.772 1.00 0.00 C ATOM 1646 NE ARG A 112 5.407 -8.740 1.181 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.397 -9.635 1.064 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.147 -10.847 0.550 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.637 -9.318 1.461 1.00 0.00 N ATOM 0 H ARG A 112 0.985 -5.402 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 112 2.414 -7.723 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.973 -7.531 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.417 -9.049 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.524 -6.905 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.052 -7.914 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.673 -9.954 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.942 -9.052 -0.314 1.00 0.00 H new ATOM 0 HE ARG A 112 5.632 -7.827 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.203 -11.088 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.901 -11.529 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.827 -8.395 1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.391 -9.999 1.372 1.00 0.00 H new ATOM 1663 N TRP A 113 0.096 -8.944 -1.640 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.138 -9.406 -2.255 1.00 0.00 C ATOM 1665 C TRP A 113 -1.503 -10.753 -1.629 1.00 0.00 C ATOM 1666 O TRP A 113 -0.668 -11.653 -1.554 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.000 -9.471 -3.777 1.00 0.00 C ATOM 1668 CG TRP A 113 -1.951 -10.466 -4.446 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -1.960 -11.802 -4.335 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.040 -10.148 -5.338 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -2.970 -12.365 -5.088 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.648 -11.327 -5.717 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.496 -8.904 -5.810 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.745 -11.380 -6.585 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.594 -8.974 -6.676 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.217 -10.153 -7.067 1.00 0.00 C ATOM 0 H TRP A 113 0.798 -9.670 -1.494 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.950 -8.704 -2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.179 -8.479 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.026 -9.740 -4.027 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.264 -12.367 -3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.180 -13.360 -5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.036 -7.969 -5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.203 -12.317 -6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.984 -8.046 -7.068 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.061 -10.123 -7.740 1.00 0.00 H new ATOM 1687 N SER A 114 -2.751 -10.849 -1.195 1.00 0.00 N ATOM 1688 CA SER A 114 -3.236 -12.072 -0.578 1.00 0.00 C ATOM 1689 C SER A 114 -3.494 -13.132 -1.650 1.00 0.00 C ATOM 1690 O SER A 114 -4.194 -12.874 -2.628 1.00 0.00 O ATOM 1691 CB SER A 114 -4.510 -11.813 0.230 1.00 0.00 C ATOM 1692 OG SER A 114 -5.341 -12.968 0.302 1.00 0.00 O ATOM 0 H SER A 114 -3.441 -10.100 -1.258 1.00 0.00 H new ATOM 0 HA SER A 114 -2.471 -12.436 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.242 -11.496 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.067 -10.994 -0.224 1.00 0.00 H new ATOM 0 HG SER A 114 -6.143 -12.762 0.827 1.00 0.00 H new ATOM 1698 N GLY A 115 -2.915 -14.303 -1.430 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.074 -15.404 -2.365 1.00 0.00 C ATOM 1700 C GLY A 115 -2.921 -16.752 -1.656 1.00 0.00 C ATOM 1701 O GLY A 115 -2.289 -16.836 -0.604 1.00 0.00 O ATOM 0 H GLY A 115 -2.335 -14.514 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.055 -15.346 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.333 -15.321 -3.160 1.00 0.00 H new ATOM 1705 N PRO A 116 -3.526 -17.799 -2.277 1.00 0.00 N ATOM 1706 CA PRO A 116 -3.463 -19.139 -1.718 1.00 0.00 C ATOM 1707 C PRO A 116 -2.083 -19.761 -1.937 1.00 0.00 C ATOM 1708 O PRO A 116 -1.373 -19.391 -2.871 1.00 0.00 O ATOM 1709 CB PRO A 116 -4.578 -19.907 -2.409 1.00 0.00 C ATOM 1710 CG PRO A 116 -4.920 -19.111 -3.658 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.283 -17.737 -3.524 1.00 0.00 C ATOM 0 HA PRO A 116 -3.601 -19.150 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.256 -20.917 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -5.447 -20.005 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.548 -19.619 -4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.001 -19.022 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.633 -17.518 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.038 -16.952 -3.490 1.00 0.00 H new ATOM 1719 N SER A 117 -1.744 -20.695 -1.061 1.00 0.00 N ATOM 1720 CA SER A 117 -0.461 -21.372 -1.147 1.00 0.00 C ATOM 1721 C SER A 117 0.676 -20.363 -0.972 1.00 0.00 C ATOM 1722 O SER A 117 1.071 -19.697 -1.928 1.00 0.00 O ATOM 1723 CB SER A 117 -0.316 -22.110 -2.480 1.00 0.00 C ATOM 1724 OG SER A 117 0.990 -22.654 -2.650 1.00 0.00 O ATOM 0 H SER A 117 -2.336 -20.999 -0.288 1.00 0.00 H new ATOM 0 HA SER A 117 -0.409 -22.110 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.052 -22.912 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.533 -21.424 -3.299 1.00 0.00 H new ATOM 0 HG SER A 117 1.041 -23.118 -3.512 1.00 0.00 H new ATOM 1730 N SER A 118 1.169 -20.283 0.254 1.00 0.00 N ATOM 1731 CA SER A 118 2.253 -19.367 0.567 1.00 0.00 C ATOM 1732 C SER A 118 3.273 -20.054 1.477 1.00 0.00 C ATOM 1733 O SER A 118 2.961 -21.054 2.121 1.00 0.00 O ATOM 1734 CB SER A 118 1.724 -18.093 1.229 1.00 0.00 C ATOM 1735 OG SER A 118 1.380 -18.305 2.596 1.00 0.00 O ATOM 0 H SER A 118 0.838 -20.838 1.043 1.00 0.00 H new ATOM 0 HA SER A 118 2.741 -19.084 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 118 2.479 -17.310 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.848 -17.739 0.685 1.00 0.00 H new ATOM 0 HG SER A 118 1.048 -17.468 2.983 1.00 0.00 H new ATOM 1741 N GLY A 119 4.472 -19.489 1.500 1.00 0.00 N ATOM 1742 CA GLY A 119 5.540 -20.035 2.321 1.00 0.00 C ATOM 1743 C GLY A 119 6.908 -19.563 1.825 1.00 0.00 C ATOM 1744 O GLY A 119 7.203 -19.647 0.634 1.00 0.00 O ATOM 0 H GLY A 119 4.727 -18.660 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.399 -19.729 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.498 -21.124 2.302 1.00 0.00 H new TER 1748 GLY A 119